data_2PV9 # _entry.id 2PV9 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2PV9 RCSB RCSB042811 WWPDB D_1000042811 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1SHH 'Slow form of thrombin bound with PPACK' unspecified PDB 2OCV 'Structural basis of Na+ activation mimicry in murine thrombin' unspecified PDB 2PUX . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2PV9 _pdbx_database_status.recvd_initial_deposition_date 2007-05-09 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Bah, A.' 1 'Chen, Z.' 2 'Bush-Pelc, L.A.' 3 'Mathews, F.S.' 4 'Di Cera, E.' 5 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary ;Crystal structures of murine thrombin in complex with the extracellular fragments of murine protease-activated receptors PAR3 and PAR4. ; Proc.Natl.Acad.Sci.Usa 104 11603 11608 2007 PNASA6 US 0027-8424 0040 ? 17606903 10.1073/pnas.0704409104 1 'Molecular dissection of Na+ binding to thrombin' J.Biol.Chem. 279 31842 ? 2004 JBCHA3 US 0021-9258 0071 ? ? ? 2 'Structural basis of Na+ activation mimicry in murine' J.Biol.Chem. ? ? ? 2007 JBCHA3 US 1083-351X 0071 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Bah, A.' 1 primary 'Chen, Z.' 2 primary 'Bush-Pelc, L.A.' 3 primary 'Mathews, F.S.' 4 primary 'Di Cera, E.' 5 1 'Pineda, A.O.' 6 1 'Carrell, C.J.' 7 1 'Bush, L.A.' 8 1 'Prasad, S.' 9 1 'Caccia, S.' 10 1 'Chen, Z.' 11 1 'Mathews, F.S.' 12 1 'Di Cera, E.' 13 2 'Marino, F.' 14 2 'Chen, Z.' 15 2 'Ergenekan, C.E.' 16 2 'Bush, L.A.' 17 2 'Mathews, F.S.' 18 2 'Di Cera, E.' 19 # _cell.entry_id 2PV9 _cell.length_a 111.153 _cell.length_b 111.153 _cell.length_c 179.707 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 2PV9 _symmetry.space_group_name_H-M 'P 65 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 179 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Thrombin light chain' 5105.731 1 ? ? ? ? 2 polymer man 'Thrombin heavy chain' 29952.625 1 ? S195A ? ? 3 polymer syn 'Proteinase-activated receptor 4' 2841.115 1 ? ? ? ? 4 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? # _entity_name_com.entity_id 3 _entity_name_com.name 'PAR-4, Thrombin receptor-like 3, Coagulation factor II receptor-like 3' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no FHTFFNEKTFGLGEADCGLRPLFEKKSLKDTTEKELLDSYIDGR FHTFFNEKTFGLGEADCGLRPLFEKKSLKDTTEKELLDSYIDGR A ? 2 'polypeptide(L)' no no ;IVEGWDAEKGIAPWQVMLFRKSPQELLCGASLISDRWVLTAAHCILYPPWDKNFTENDLLVRIGKHSRTRYERNVEKISM LEKIYVHPRYNWRENLDRDIALLKLKKPVPFSDYIHPVCLPDKQTVTSLLRAGYKGRVTGWGNLRETWTTNINEIQPSVL QVVNLPIVERPVCKASTRIRITDNMFCAGFKVNDTKRGDACEGDAGGPFVMKSPFNNRWYQMGIVSWGEGCDRKGKYGFY THVFRLKRWIQKVIDQFG ; ;IVEGWDAEKGIAPWQVMLFRKSPQELLCGASLISDRWVLTAAHCILYPPWDKNFTENDLLVRIGKHSRTRYERNVEKISM LEKIYVHPRYNWRENLDRDIALLKLKKPVPFSDYIHPVCLPDKQTVTSLLRAGYKGRVTGWGNLRETWTTNINEIQPSVL QVVNLPIVERPVCKASTRIRITDNMFCAGFKVNDTKRGDACEGDAGGPFVMKSPFNNRWYQMGIVSWGEGCDRKGKYGFY THVFRLKRWIQKVIDQFG ; B ? 3 'polypeptide(L)' no no KSSDKPNPRGYPGKFCANDSDTLELP KSSDKPNPRGYPGKFCANDSDTLELP C ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 PHE n 1 2 HIS n 1 3 THR n 1 4 PHE n 1 5 PHE n 1 6 ASN n 1 7 GLU n 1 8 LYS n 1 9 THR n 1 10 PHE n 1 11 GLY n 1 12 LEU n 1 13 GLY n 1 14 GLU n 1 15 ALA n 1 16 ASP n 1 17 CYS n 1 18 GLY n 1 19 LEU n 1 20 ARG n 1 21 PRO n 1 22 LEU n 1 23 PHE n 1 24 GLU n 1 25 LYS n 1 26 LYS n 1 27 SER n 1 28 LEU n 1 29 LYS n 1 30 ASP n 1 31 THR n 1 32 THR n 1 33 GLU n 1 34 LYS n 1 35 GLU n 1 36 LEU n 1 37 LEU n 1 38 ASP n 1 39 SER n 1 40 TYR n 1 41 ILE n 1 42 ASP n 1 43 GLY n 1 44 ARG n 2 1 ILE n 2 2 VAL n 2 3 GLU n 2 4 GLY n 2 5 TRP n 2 6 ASP n 2 7 ALA n 2 8 GLU n 2 9 LYS n 2 10 GLY n 2 11 ILE n 2 12 ALA n 2 13 PRO n 2 14 TRP n 2 15 GLN n 2 16 VAL n 2 17 MET n 2 18 LEU n 2 19 PHE n 2 20 ARG n 2 21 LYS n 2 22 SER n 2 23 PRO n 2 24 GLN n 2 25 GLU n 2 26 LEU n 2 27 LEU n 2 28 CYS n 2 29 GLY n 2 30 ALA n 2 31 SER n 2 32 LEU n 2 33 ILE n 2 34 SER n 2 35 ASP n 2 36 ARG n 2 37 TRP n 2 38 VAL n 2 39 LEU n 2 40 THR n 2 41 ALA n 2 42 ALA n 2 43 HIS n 2 44 CYS n 2 45 ILE n 2 46 LEU n 2 47 TYR n 2 48 PRO n 2 49 PRO n 2 50 TRP n 2 51 ASP n 2 52 LYS n 2 53 ASN n 2 54 PHE n 2 55 THR n 2 56 GLU n 2 57 ASN n 2 58 ASP n 2 59 LEU n 2 60 LEU n 2 61 VAL n 2 62 ARG n 2 63 ILE n 2 64 GLY n 2 65 LYS n 2 66 HIS n 2 67 SER n 2 68 ARG n 2 69 THR n 2 70 ARG n 2 71 TYR n 2 72 GLU n 2 73 ARG n 2 74 ASN n 2 75 VAL n 2 76 GLU n 2 77 LYS n 2 78 ILE n 2 79 SER n 2 80 MET n 2 81 LEU n 2 82 GLU n 2 83 LYS n 2 84 ILE n 2 85 TYR n 2 86 VAL n 2 87 HIS n 2 88 PRO n 2 89 ARG n 2 90 TYR n 2 91 ASN n 2 92 TRP n 2 93 ARG n 2 94 GLU n 2 95 ASN n 2 96 LEU n 2 97 ASP n 2 98 ARG n 2 99 ASP n 2 100 ILE n 2 101 ALA n 2 102 LEU n 2 103 LEU n 2 104 LYS n 2 105 LEU n 2 106 LYS n 2 107 LYS n 2 108 PRO n 2 109 VAL n 2 110 PRO n 2 111 PHE n 2 112 SER n 2 113 ASP n 2 114 TYR n 2 115 ILE n 2 116 HIS n 2 117 PRO n 2 118 VAL n 2 119 CYS n 2 120 LEU n 2 121 PRO n 2 122 ASP n 2 123 LYS n 2 124 GLN n 2 125 THR n 2 126 VAL n 2 127 THR n 2 128 SER n 2 129 LEU n 2 130 LEU n 2 131 ARG n 2 132 ALA n 2 133 GLY n 2 134 TYR n 2 135 LYS n 2 136 GLY n 2 137 ARG n 2 138 VAL n 2 139 THR n 2 140 GLY n 2 141 TRP n 2 142 GLY n 2 143 ASN n 2 144 LEU n 2 145 ARG n 2 146 GLU n 2 147 THR n 2 148 TRP n 2 149 THR n 2 150 THR n 2 151 ASN n 2 152 ILE n 2 153 ASN n 2 154 GLU n 2 155 ILE n 2 156 GLN n 2 157 PRO n 2 158 SER n 2 159 VAL n 2 160 LEU n 2 161 GLN n 2 162 VAL n 2 163 VAL n 2 164 ASN n 2 165 LEU n 2 166 PRO n 2 167 ILE n 2 168 VAL n 2 169 GLU n 2 170 ARG n 2 171 PRO n 2 172 VAL n 2 173 CYS n 2 174 LYS n 2 175 ALA n 2 176 SER n 2 177 THR n 2 178 ARG n 2 179 ILE n 2 180 ARG n 2 181 ILE n 2 182 THR n 2 183 ASP n 2 184 ASN n 2 185 MET n 2 186 PHE n 2 187 CYS n 2 188 ALA n 2 189 GLY n 2 190 PHE n 2 191 LYS n 2 192 VAL n 2 193 ASN n 2 194 ASP n 2 195 THR n 2 196 LYS n 2 197 ARG n 2 198 GLY n 2 199 ASP n 2 200 ALA n 2 201 CYS n 2 202 GLU n 2 203 GLY n 2 204 ASP n 2 205 ALA n 2 206 GLY n 2 207 GLY n 2 208 PRO n 2 209 PHE n 2 210 VAL n 2 211 MET n 2 212 LYS n 2 213 SER n 2 214 PRO n 2 215 PHE n 2 216 ASN n 2 217 ASN n 2 218 ARG n 2 219 TRP n 2 220 TYR n 2 221 GLN n 2 222 MET n 2 223 GLY n 2 224 ILE n 2 225 VAL n 2 226 SER n 2 227 TRP n 2 228 GLY n 2 229 GLU n 2 230 GLY n 2 231 CYS n 2 232 ASP n 2 233 ARG n 2 234 LYS n 2 235 GLY n 2 236 LYS n 2 237 TYR n 2 238 GLY n 2 239 PHE n 2 240 TYR n 2 241 THR n 2 242 HIS n 2 243 VAL n 2 244 PHE n 2 245 ARG n 2 246 LEU n 2 247 LYS n 2 248 ARG n 2 249 TRP n 2 250 ILE n 2 251 GLN n 2 252 LYS n 2 253 VAL n 2 254 ILE n 2 255 ASP n 2 256 GLN n 2 257 PHE n 2 258 GLY n 3 1 LYS n 3 2 SER n 3 3 SER n 3 4 ASP n 3 5 LYS n 3 6 PRO n 3 7 ASN n 3 8 PRO n 3 9 ARG n 3 10 GLY n 3 11 TYR n 3 12 PRO n 3 13 GLY n 3 14 LYS n 3 15 PHE n 3 16 CYS n 3 17 ALA n 3 18 ASN n 3 19 ASP n 3 20 SER n 3 21 ASP n 3 22 THR n 3 23 LEU n 3 24 GLU n 3 25 LEU n 3 26 PRO n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? 'house mouse' Mus 'F2, Cf2' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'Chinese hamster' 'Cricetulus griseus' 10029 Cricetulus ? ? ? ? ? ? ? ? ? ? 'kidney cells' ? ? ? ? ? ? ? ? ? 2 1 sample ? ? ? 'house mouse' Mus 'F2, Cf2' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'Chinese hamster' 'Cricetulus griseus' 10029 Cricetulus ? ? ? ? ? ? ? ? ? ? 'kidney cells' ? ? ? ? ? ? ? ? ? # _pdbx_entity_src_syn.entity_id 3 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific ? _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id ? _pdbx_entity_src_syn.details 'Midwest Biotech Inc.' # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP THRB_MOUSE P19221 1 FHTFFNEKTFGLGEADCGLRPLFEKKSLKDTTEKELLDSYIDGR 317 ? 2 UNP THRB_MOUSE P19221 2 ;IVEGWDAEKGIAPWQVMLFRKSPQELLCGASLISDRWVLTAAHCILYPPWDKNFTENDLLVRIGKHSRTRYERNVEKISM LEKIYVHPRYNWRENLDRDIALLKLKKPVPFSDYIHPVCLPDKQTVTSLLRAGYKGRVTGWGNLRETWTTNINEIQPSVL QVVNLPIVERPVCKASTRIRITDNMFCAGFKVNDTKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRKGKYGFY THVFRLKRWIQKVIDQFG ; 361 ? 3 UNP PAR4_MOUSE O88634 3 KSSDKPNPRGYPGKFCANDSDTLELP 51 ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 2PV9 A 1 P 44 ? P19221 317 ? 360 ? 1 15 2 2 2PV9 B 1 ? 258 ? P19221 361 ? 618 ? 16 246 3 3 2PV9 C 1 ? 26 ? O88634 51 ? 76 ? 51 76 # _struct_ref_seq_dif.align_id 2 _struct_ref_seq_dif.pdbx_pdb_id_code 2PV9 _struct_ref_seq_dif.mon_id ALA _struct_ref_seq_dif.pdbx_pdb_strand_id B _struct_ref_seq_dif.seq_num 205 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code P19221 _struct_ref_seq_dif.db_mon_id SER _struct_ref_seq_dif.pdbx_seq_db_seq_num 565 _struct_ref_seq_dif.details ENGINEERED _struct_ref_seq_dif.pdbx_auth_seq_num 195 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 2PV9 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 4.23 _exptl_crystal.density_percent_sol 70.89 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.9 _exptl_crystal_grow.pdbx_details '20% PEG 3350, 200 mM MgSO4, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IV' _diffrn_detector.pdbx_collection_date 2006-10-19 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'YALE MIRRORS' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RU200' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.54 # _reflns.entry_id 2PV9 _reflns.observed_criterion_sigma_F 0.0 _reflns.observed_criterion_sigma_I 0.0 _reflns.d_resolution_high 3.5 _reflns.d_resolution_low 40 _reflns.number_all 8824 _reflns.number_obs 8568 _reflns.percent_possible_obs 97.1 _reflns.pdbx_Rmerge_I_obs 0.110 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 11.2 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 8.6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 3.5 _reflns_shell.d_res_low 3.63 _reflns_shell.percent_possible_all 86.3 _reflns_shell.Rmerge_I_obs 0.328 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.3 _reflns_shell.pdbx_redundancy 2.8 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 739 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2PV9 _refine.ls_number_reflns_obs 8552 _refine.ls_number_reflns_all 8808 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.0 _refine.pdbx_data_cutoff_high_absF 114304.42 _refine.pdbx_data_cutoff_low_absF 0.000000 _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 37.52 _refine.ls_d_res_high 3.50 _refine.ls_percent_reflns_obs 97.2 _refine.ls_R_factor_obs 0.306 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.306 _refine.ls_R_factor_R_free 0.319 _refine.ls_R_factor_R_free_error 0.015 _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.5 _refine.ls_number_reflns_R_free 472 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 38.6 _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'PDB entry 1SHH' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model RESTRAINED _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_analyze.entry_id 2PV9 _refine_analyze.Luzzati_coordinate_error_obs 0.43 _refine_analyze.Luzzati_sigma_a_obs 0.90 _refine_analyze.Luzzati_d_res_low_obs 5.00 _refine_analyze.Luzzati_coordinate_error_free 0.49 _refine_analyze.Luzzati_sigma_a_free 0.85 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2651 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 28 _refine_hist.number_atoms_solvent 0 _refine_hist.number_atoms_total 2679 _refine_hist.d_res_high 3.50 _refine_hist.d_res_low 37.52 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function c_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? c_angle_deg 1.8 ? ? ? 'X-RAY DIFFRACTION' ? c_dihedral_angle_d 24.1 ? ? ? 'X-RAY DIFFRACTION' ? c_improper_angle_d 1.17 ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 6 _refine_ls_shell.d_res_high 3.50 _refine_ls_shell.d_res_low 3.72 _refine_ls_shell.number_reflns_R_work 1194 _refine_ls_shell.R_factor_R_work 0.356 _refine_ls_shell.percent_reflns_obs 88.3 _refine_ls_shell.R_factor_R_free 0.353 _refine_ls_shell.R_factor_R_free_error 0.043 _refine_ls_shell.percent_reflns_R_free 5.5 _refine_ls_shell.number_reflns_R_free 69 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 1189 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2PV9 _struct.title 'Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR4' _struct.pdbx_descriptor 'Thrombin light chain, Thrombin heavy chain, Proteinase-activated receptor 4' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2PV9 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'Serine protease, HYDROLASE' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 4 ? # _struct_biol.id 1 _struct_biol.details 'The biological assembly is a monomer.' # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 GLY A 13 D CYS A 17 ? GLY A 1 CYS A 1 5 ? 5 HELX_P HELX_P2 2 THR A 32 B ASP A 38 H THR A 14 ASP A 14 1 ? 7 HELX_P HELX_P3 3 ALA B 41 ? CYS B 44 ? ALA B 55 CYS B 58 5 ? 4 HELX_P HELX_P4 4 PRO B 48 B ASP B 51 E PRO B 60 ASP B 60 5 ? 4 HELX_P HELX_P5 5 ASP B 122 ? LEU B 130 ? ASP B 125 LEU B 130 1 ? 9 HELX_P HELX_P6 6 GLU B 169 ? SER B 176 ? GLU B 164 SER B 171 1 ? 8 HELX_P HELX_P7 7 VAL B 243 ? GLN B 256 ? VAL B 231 GLN B 244 1 ? 14 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 17 SG ? ? ? 1_555 B CYS 119 SG ? ? A CYS 1 B CYS 122 1_555 ? ? ? ? ? ? ? 2.018 ? disulf2 disulf ? ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? B CYS 42 B CYS 58 1_555 ? ? ? ? ? ? ? 2.022 ? disulf3 disulf ? ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? B CYS 168 B CYS 182 1_555 ? ? ? ? ? ? ? 2.031 ? disulf4 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? B CYS 191 B CYS 220 1_555 ? ? ? ? ? ? ? 2.031 ? covale1 covale ? ? B ASN 53 ND2 ? G ? 1_555 D NAG . C1 ? ? B ASN 60 B NAG 301 1_555 ? ? ? ? ? ? ? 1.465 ? covale2 covale ? ? B ASN 193 ND2 ? A ? 1_555 E NAG . C1 ? ? B ASN 186 B NAG 302 1_555 ? ? ? ? ? ? ? 1.498 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # _struct_mon_prot_cis.pdbx_id 1 _struct_mon_prot_cis.label_comp_id SER _struct_mon_prot_cis.label_seq_id 22 _struct_mon_prot_cis.label_asym_id B _struct_mon_prot_cis.label_alt_id . _struct_mon_prot_cis.pdbx_PDB_ins_code A _struct_mon_prot_cis.auth_comp_id SER _struct_mon_prot_cis.auth_seq_id 36 _struct_mon_prot_cis.auth_asym_id B _struct_mon_prot_cis.pdbx_label_comp_id_2 PRO _struct_mon_prot_cis.pdbx_label_seq_id_2 23 _struct_mon_prot_cis.pdbx_label_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_ins_code_2 ? _struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO _struct_mon_prot_cis.pdbx_auth_seq_id_2 37 _struct_mon_prot_cis.pdbx_auth_asym_id_2 B _struct_mon_prot_cis.pdbx_PDB_model_num 1 _struct_mon_prot_cis.pdbx_omega_angle 0.23 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 7 ? B ? 6 ? C ? 7 ? D ? 2 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel C 6 7 ? anti-parallel D 1 2 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TRP B 5 ? ASP B 6 ? TRP B 20 ASP B 21 A 2 GLN B 161 ? PRO B 166 ? GLN B 156 PRO B 161 A 3 LYS B 135 ? GLY B 140 ? LYS B 135 GLY B 140 A 4 PRO B 208 ? LYS B 212 ? PRO B 198 LYS B 202 A 5 TRP B 219 ? GLY B 228 ? TRP B 207 GLY B 216 A 6 GLY B 238 ? HIS B 242 ? GLY B 226 HIS B 230 A 7 MET B 185 ? ALA B 188 ? MET B 180 ALA B 183 B 1 TRP B 5 ? ASP B 6 ? TRP B 20 ASP B 21 B 2 GLN B 161 ? PRO B 166 ? GLN B 156 PRO B 161 B 3 LYS B 135 ? GLY B 140 ? LYS B 135 GLY B 140 B 4 PRO B 208 ? LYS B 212 ? PRO B 198 LYS B 202 B 5 TRP B 219 ? GLY B 228 ? TRP B 207 GLY B 216 C 1 VAL B 16 ? ARG B 20 ? VAL B 31 ARG B 35 C 2 GLU B 25 ? LEU B 32 ? GLU B 39 LEU B 46 C 3 TRP B 37 ? THR B 40 ? TRP B 51 THR B 54 C 4 ALA B 101 ? LEU B 105 ? ALA B 104 LEU B 108 C 5 LYS B 77 ? VAL B 86 ? LYS B 81 VAL B 90 C 6 LEU B 59 ? ILE B 63 ? LEU B 64 ILE B 68 C 7 VAL B 16 ? ARG B 20 ? VAL B 31 ARG B 35 D 1 LEU B 46 ? TYR B 47 A LEU B 60 TYR B 60 D 2 LYS B 52 F ASN B 53 G LYS B 60 ASN B 60 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N TRP B 5 ? N TRP B 20 O VAL B 162 ? O VAL B 157 A 2 3 O LEU B 165 ? O LEU B 160 N GLY B 136 ? N GLY B 136 A 3 4 N ARG B 137 ? N ARG B 137 O VAL B 210 ? O VAL B 200 A 4 5 N MET B 211 ? N MET B 201 O TYR B 220 ? O TYR B 208 A 5 6 N ILE B 224 ? N ILE B 212 O THR B 241 ? O THR B 229 A 6 7 O TYR B 240 ? O TYR B 228 N PHE B 186 ? N PHE B 181 B 1 2 N TRP B 5 ? N TRP B 20 O VAL B 162 ? O VAL B 157 B 2 3 O LEU B 165 ? O LEU B 160 N GLY B 136 ? N GLY B 136 B 3 4 N ARG B 137 ? N ARG B 137 O VAL B 210 ? O VAL B 200 B 4 5 N MET B 211 ? N MET B 201 O TYR B 220 ? O TYR B 208 C 1 2 N ARG B 20 ? N ARG B 35 O GLU B 25 ? O GLU B 39 C 2 3 N SER B 31 ? N SER B 45 O LEU B 39 ? O LEU B 53 C 3 4 N VAL B 38 ? N VAL B 52 O LEU B 103 ? O LEU B 106 C 4 5 O LYS B 104 ? O LYS B 107 N GLU B 82 ? N GLU B 86 C 5 6 O LYS B 77 ? O LYS B 81 N ILE B 63 ? N ILE B 68 C 6 7 O LEU B 60 ? O LEU B 65 N PHE B 19 ? N PHE B 34 D 1 2 N TYR B 47 A N TYR B 60 O LYS B 52 F O LYS B 60 # _database_PDB_matrix.entry_id 2PV9 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 2PV9 _atom_sites.fract_transf_matrix[1][1] 0.008997 _atom_sites.fract_transf_matrix[1][2] 0.005194 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010388 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.005565 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . PHE A 1 1 P -21.117 -37.654 31.731 1.00 75.53 ? 1 PHE A N 1 ATOM 2 C CA . PHE A 1 1 P -21.625 -37.475 30.335 1.00 75.34 ? 1 PHE A CA 1 ATOM 3 C C . PHE A 1 1 P -22.660 -38.551 29.978 1.00 73.75 ? 1 PHE A C 1 ATOM 4 O O . PHE A 1 1 P -23.218 -39.201 30.866 1.00 75.93 ? 1 PHE A O 1 ATOM 5 C CB . PHE A 1 1 P -20.461 -37.541 29.347 1.00 77.74 ? 1 PHE A CB 1 ATOM 6 C CG . PHE A 1 1 P -20.785 -36.984 27.995 1.00 80.07 ? 1 PHE A CG 1 ATOM 7 C CD1 . PHE A 1 1 P -20.435 -37.674 26.847 1.00 81.89 ? 1 PHE A CD1 1 ATOM 8 C CD2 . PHE A 1 1 P -21.439 -35.766 27.869 1.00 82.21 ? 1 PHE A CD2 1 ATOM 9 C CE1 . PHE A 1 1 P -20.735 -37.159 25.584 1.00 84.14 ? 1 PHE A CE1 1 ATOM 10 C CE2 . PHE A 1 1 P -21.744 -35.242 26.610 1.00 83.50 ? 1 PHE A CE2 1 ATOM 11 C CZ . PHE A 1 1 P -21.391 -35.940 25.466 1.00 83.53 ? 1 PHE A CZ 1 ATOM 12 N N . HIS A 1 2 O -22.914 -38.750 28.687 1.00 69.22 ? 1 HIS A N 1 ATOM 13 C CA . HIS A 1 2 O -23.890 -39.750 28.276 1.00 65.13 ? 1 HIS A CA 1 ATOM 14 C C . HIS A 1 2 O -23.681 -40.287 26.865 1.00 62.07 ? 1 HIS A C 1 ATOM 15 O O . HIS A 1 2 O -24.014 -39.639 25.876 1.00 60.92 ? 1 HIS A O 1 ATOM 16 C CB . HIS A 1 2 O -25.302 -39.185 28.416 1.00 65.09 ? 1 HIS A CB 1 ATOM 17 N N . THR A 1 3 N -23.136 -41.493 26.791 1.00 59.25 ? 1 THR A N 1 ATOM 18 C CA . THR A 1 3 N -22.881 -42.165 25.527 1.00 58.29 ? 1 THR A CA 1 ATOM 19 C C . THR A 1 3 N -24.163 -42.286 24.716 1.00 57.28 ? 1 THR A C 1 ATOM 20 O O . THR A 1 3 N -25.093 -42.976 25.126 1.00 59.47 ? 1 THR A O 1 ATOM 21 C CB . THR A 1 3 N -22.362 -43.576 25.781 1.00 60.00 ? 1 THR A CB 1 ATOM 22 O OG1 . THR A 1 3 N -21.282 -43.519 26.719 1.00 61.85 ? 1 THR A OG1 1 ATOM 23 C CG2 . THR A 1 3 N -21.889 -44.214 24.486 1.00 62.84 ? 1 THR A CG2 1 ATOM 24 N N . PHE A 1 4 M -24.206 -41.646 23.555 1.00 55.73 ? 1 PHE A N 1 ATOM 25 C CA . PHE A 1 4 M -25.399 -41.695 22.706 1.00 54.75 ? 1 PHE A CA 1 ATOM 26 C C . PHE A 1 4 M -25.250 -42.711 21.577 1.00 51.65 ? 1 PHE A C 1 ATOM 27 O O . PHE A 1 4 M -26.181 -43.458 21.275 1.00 51.43 ? 1 PHE A O 1 ATOM 28 C CB . PHE A 1 4 M -25.654 -40.311 22.097 1.00 57.95 ? 1 PHE A CB 1 ATOM 29 C CG . PHE A 1 4 M -27.007 -40.152 21.447 1.00 58.43 ? 1 PHE A CG 1 ATOM 30 C CD1 . PHE A 1 4 M -28.140 -39.910 22.219 1.00 58.62 ? 1 PHE A CD1 1 ATOM 31 C CD2 . PHE A 1 4 M -27.136 -40.184 20.063 1.00 56.97 ? 1 PHE A CD2 1 ATOM 32 C CE1 . PHE A 1 4 M -29.374 -39.694 21.619 1.00 59.50 ? 1 PHE A CE1 1 ATOM 33 C CE2 . PHE A 1 4 M -28.358 -39.970 19.459 1.00 57.87 ? 1 PHE A CE2 1 ATOM 34 C CZ . PHE A 1 4 M -29.481 -39.724 20.232 1.00 59.65 ? 1 PHE A CZ 1 ATOM 35 N N . PHE A 1 5 L -24.073 -42.719 20.960 1.00 48.07 ? 1 PHE A N 1 ATOM 36 C CA . PHE A 1 5 L -23.785 -43.607 19.844 1.00 46.00 ? 1 PHE A CA 1 ATOM 37 C C . PHE A 1 5 L -23.163 -44.930 20.256 1.00 44.84 ? 1 PHE A C 1 ATOM 38 O O . PHE A 1 5 L -22.746 -45.098 21.404 1.00 43.50 ? 1 PHE A O 1 ATOM 39 C CB . PHE A 1 5 L -22.883 -42.886 18.843 1.00 45.73 ? 1 PHE A CB 1 ATOM 40 C CG . PHE A 1 5 L -23.537 -41.698 18.204 1.00 45.32 ? 1 PHE A CG 1 ATOM 41 C CD1 . PHE A 1 5 L -23.927 -40.611 18.973 1.00 43.88 ? 1 PHE A CD1 1 ATOM 42 C CD2 . PHE A 1 5 L -23.825 -41.695 16.843 1.00 46.08 ? 1 PHE A CD2 1 ATOM 43 C CE1 . PHE A 1 5 L -24.602 -39.541 18.398 1.00 44.40 ? 1 PHE A CE1 1 ATOM 44 C CE2 . PHE A 1 5 L -24.502 -40.627 16.255 1.00 45.40 ? 1 PHE A CE2 1 ATOM 45 C CZ . PHE A 1 5 L -24.893 -39.550 17.034 1.00 45.12 ? 1 PHE A CZ 1 ATOM 46 N N . ASN A 1 6 K -23.115 -45.876 19.320 1.00 43.96 ? 1 ASN A N 1 ATOM 47 C CA . ASN A 1 6 K -22.545 -47.176 19.629 1.00 44.28 ? 1 ASN A CA 1 ATOM 48 C C . ASN A 1 6 K -21.076 -47.175 19.279 1.00 42.83 ? 1 ASN A C 1 ATOM 49 O O . ASN A 1 6 K -20.691 -47.056 18.112 1.00 42.30 ? 1 ASN A O 1 ATOM 50 C CB . ASN A 1 6 K -23.266 -48.303 18.881 1.00 47.91 ? 1 ASN A CB 1 ATOM 51 C CG . ASN A 1 6 K -22.894 -49.687 19.409 1.00 51.49 ? 1 ASN A CG 1 ATOM 52 O OD1 . ASN A 1 6 K -21.738 -50.108 19.321 1.00 55.46 ? 1 ASN A OD1 1 ATOM 53 N ND2 . ASN A 1 6 K -23.874 -50.394 19.965 1.00 52.24 ? 1 ASN A ND2 1 ATOM 54 N N . GLU A 1 7 J -20.268 -47.309 20.323 1.00 40.56 ? 1 GLU A N 1 ATOM 55 C CA . GLU A 1 7 J -18.827 -47.305 20.207 1.00 39.53 ? 1 GLU A CA 1 ATOM 56 C C . GLU A 1 7 J -18.294 -48.020 18.992 1.00 38.44 ? 1 GLU A C 1 ATOM 57 O O . GLU A 1 7 J -17.193 -47.722 18.554 1.00 37.34 ? 1 GLU A O 1 ATOM 58 C CB . GLU A 1 7 J -18.192 -47.907 21.457 1.00 40.98 ? 1 GLU A CB 1 ATOM 59 C CG . GLU A 1 7 J -16.961 -47.154 21.904 1.00 43.52 ? 1 GLU A CG 1 ATOM 60 C CD . GLU A 1 7 J -15.788 -48.054 22.165 1.00 45.47 ? 1 GLU A CD 1 ATOM 61 O OE1 . GLU A 1 7 J -15.325 -48.720 21.217 1.00 49.15 ? 1 GLU A OE1 1 ATOM 62 O OE2 . GLU A 1 7 J -15.326 -48.093 23.321 1.00 44.64 ? 1 GLU A OE2 1 ATOM 63 N N . LYS A 1 8 I -19.043 -48.957 18.432 1.00 38.33 ? 1 LYS A N 1 ATOM 64 C CA . LYS A 1 8 I -18.495 -49.622 17.278 1.00 41.18 ? 1 LYS A CA 1 ATOM 65 C C . LYS A 1 8 I -18.992 -49.216 15.915 1.00 40.38 ? 1 LYS A C 1 ATOM 66 O O . LYS A 1 8 I -18.427 -49.629 14.907 1.00 42.58 ? 1 LYS A O 1 ATOM 67 C CB . LYS A 1 8 I -18.543 -51.133 17.441 1.00 46.74 ? 1 LYS A CB 1 ATOM 68 C CG . LYS A 1 8 I -17.119 -51.689 17.678 1.00 56.05 ? 1 LYS A CG 1 ATOM 69 C CD . LYS A 1 8 I -16.129 -51.217 16.562 1.00 59.68 ? 1 LYS A CD 1 ATOM 70 C CE . LYS A 1 8 I -14.633 -51.385 16.928 1.00 60.80 ? 1 LYS A CE 1 ATOM 71 N NZ . LYS A 1 8 I -14.076 -50.334 17.837 1.00 61.18 ? 1 LYS A NZ 1 ATOM 72 N N . THR A 1 9 H -20.032 -48.404 15.862 1.00 37.80 ? 1 THR A N 1 ATOM 73 C CA . THR A 1 9 H -20.499 -47.935 14.571 1.00 37.34 ? 1 THR A CA 1 ATOM 74 C C . THR A 1 9 H -19.943 -46.536 14.431 1.00 37.24 ? 1 THR A C 1 ATOM 75 O O . THR A 1 9 H -19.458 -46.147 13.382 1.00 39.33 ? 1 THR A O 1 ATOM 76 C CB . THR A 1 9 H -22.015 -47.822 14.506 1.00 38.50 ? 1 THR A CB 1 ATOM 77 O OG1 . THR A 1 9 H -22.511 -47.506 15.813 1.00 43.49 ? 1 THR A OG1 1 ATOM 78 C CG2 . THR A 1 9 H -22.640 -49.100 13.983 1.00 37.12 ? 1 THR A CG2 1 ATOM 79 N N . PHE A 1 10 G -20.008 -45.791 15.523 1.00 35.38 ? 1 PHE A N 1 ATOM 80 C CA . PHE A 1 10 G -19.560 -44.408 15.564 1.00 33.36 ? 1 PHE A CA 1 ATOM 81 C C . PHE A 1 10 G -18.068 -44.255 15.401 1.00 33.07 ? 1 PHE A C 1 ATOM 82 O O . PHE A 1 10 G -17.594 -43.695 14.423 1.00 33.09 ? 1 PHE A O 1 ATOM 83 C CB . PHE A 1 10 G -19.971 -43.798 16.894 1.00 34.50 ? 1 PHE A CB 1 ATOM 84 C CG . PHE A 1 10 G -19.967 -42.309 16.908 1.00 34.05 ? 1 PHE A CG 1 ATOM 85 C CD1 . PHE A 1 10 G -19.507 -41.620 18.021 1.00 35.54 ? 1 PHE A CD1 1 ATOM 86 C CD2 . PHE A 1 10 G -20.472 -41.593 15.837 1.00 34.21 ? 1 PHE A CD2 1 ATOM 87 C CE1 . PHE A 1 10 G -19.551 -40.239 18.069 1.00 35.39 ? 1 PHE A CE1 1 ATOM 88 C CE2 . PHE A 1 10 G -20.522 -40.213 15.875 1.00 36.31 ? 1 PHE A CE2 1 ATOM 89 C CZ . PHE A 1 10 G -20.059 -39.532 16.996 1.00 36.26 ? 1 PHE A CZ 1 ATOM 90 N N . GLY A 1 11 F -17.337 -44.758 16.386 1.00 34.93 ? 1 GLY A N 1 ATOM 91 C CA . GLY A 1 11 F -15.889 -44.668 16.397 1.00 35.63 ? 1 GLY A CA 1 ATOM 92 C C . GLY A 1 11 F -15.497 -44.202 17.784 1.00 35.87 ? 1 GLY A C 1 ATOM 93 O O . GLY A 1 11 F -16.365 -43.995 18.629 1.00 37.95 ? 1 GLY A O 1 ATOM 94 N N . LEU A 1 12 E -14.209 -44.037 18.040 1.00 34.67 ? 1 LEU A N 1 ATOM 95 C CA . LEU A 1 12 E -13.766 -43.590 19.352 1.00 35.03 ? 1 LEU A CA 1 ATOM 96 C C . LEU A 1 12 E -13.983 -42.097 19.526 1.00 32.92 ? 1 LEU A C 1 ATOM 97 O O . LEU A 1 12 E -14.026 -41.354 18.546 1.00 31.50 ? 1 LEU A O 1 ATOM 98 C CB . LEU A 1 12 E -12.280 -43.896 19.542 1.00 38.12 ? 1 LEU A CB 1 ATOM 99 C CG . LEU A 1 12 E -11.825 -45.350 19.449 1.00 41.56 ? 1 LEU A CG 1 ATOM 100 C CD1 . LEU A 1 12 E -10.309 -45.412 19.607 1.00 41.90 ? 1 LEU A CD1 1 ATOM 101 C CD2 . LEU A 1 12 E -12.522 -46.190 20.526 1.00 43.99 ? 1 LEU A CD2 1 ATOM 102 N N . GLY A 1 13 D -14.115 -41.672 20.780 1.00 33.37 ? 1 GLY A N 1 ATOM 103 C CA . GLY A 1 13 D -14.290 -40.263 21.074 1.00 36.11 ? 1 GLY A CA 1 ATOM 104 C C . GLY A 1 13 D -15.525 -39.884 21.871 1.00 37.26 ? 1 GLY A C 1 ATOM 105 O O . GLY A 1 13 D -15.445 -39.119 22.834 1.00 38.22 ? 1 GLY A O 1 ATOM 106 N N . GLU A 1 14 C -16.671 -40.416 21.457 1.00 36.50 ? 1 GLU A N 1 ATOM 107 C CA . GLU A 1 14 C -17.953 -40.147 22.089 1.00 35.16 ? 1 GLU A CA 1 ATOM 108 C C . GLU A 1 14 C -17.861 -39.728 23.552 1.00 32.99 ? 1 GLU A C 1 ATOM 109 O O . GLU A 1 14 C -18.293 -38.649 23.917 1.00 30.89 ? 1 GLU A O 1 ATOM 110 C CB . GLU A 1 14 C -18.835 -41.393 21.963 1.00 38.07 ? 1 GLU A CB 1 ATOM 111 C CG . GLU A 1 14 C -20.208 -41.187 21.295 1.00 41.08 ? 1 GLU A CG 1 ATOM 112 C CD . GLU A 1 14 C -21.306 -40.728 22.257 1.00 42.75 ? 1 GLU A CD 1 ATOM 113 O OE1 . GLU A 1 14 C -21.131 -40.860 23.486 1.00 44.42 ? 1 GLU A OE1 1 ATOM 114 O OE2 . GLU A 1 14 C -22.359 -40.253 21.781 1.00 43.40 ? 1 GLU A OE2 1 ATOM 115 N N . ALA A 1 15 B -17.273 -40.589 24.370 1.00 33.39 ? 1 ALA A N 1 ATOM 116 C CA . ALA A 1 15 B -17.149 -40.354 25.804 1.00 35.32 ? 1 ALA A CA 1 ATOM 117 C C . ALA A 1 15 B -16.226 -39.231 26.279 1.00 36.13 ? 1 ALA A C 1 ATOM 118 O O . ALA A 1 15 B -16.103 -39.008 27.484 1.00 38.16 ? 1 ALA A O 1 ATOM 119 C CB . ALA A 1 15 B -16.752 -41.652 26.487 1.00 37.39 ? 1 ALA A CB 1 ATOM 120 N N . ASP A 1 16 A -15.570 -38.521 25.374 1.00 35.34 ? 1 ASP A N 1 ATOM 121 C CA . ASP A 1 16 A -14.684 -37.457 25.822 1.00 35.36 ? 1 ASP A CA 1 ATOM 122 C C . ASP A 1 16 A -14.676 -36.279 24.856 1.00 34.67 ? 1 ASP A C 1 ATOM 123 O O . ASP A 1 16 A -13.780 -35.435 24.883 1.00 35.18 ? 1 ASP A O 1 ATOM 124 C CB . ASP A 1 16 A -13.266 -38.011 26.021 1.00 37.81 ? 1 ASP A CB 1 ATOM 125 C CG . ASP A 1 16 A -12.384 -37.090 26.851 1.00 40.40 ? 1 ASP A CG 1 ATOM 126 O OD1 . ASP A 1 16 A -12.750 -36.782 28.017 1.00 41.44 ? 1 ASP A OD1 1 ATOM 127 O OD2 . ASP A 1 16 A -11.315 -36.687 26.337 1.00 41.17 ? 1 ASP A OD2 1 ATOM 128 N N . CYS A 1 17 ? -15.689 -36.227 24.001 1.00 32.88 ? 1 CYS A N 1 ATOM 129 C CA . CYS A 1 17 ? -15.833 -35.145 23.034 1.00 30.29 ? 1 CYS A CA 1 ATOM 130 C C . CYS A 1 17 ? -16.066 -33.849 23.793 1.00 29.25 ? 1 CYS A C 1 ATOM 131 O O . CYS A 1 17 ? -16.472 -33.860 24.958 1.00 28.70 ? 1 CYS A O 1 ATOM 132 C CB . CYS A 1 17 ? -17.057 -35.378 22.154 1.00 29.35 ? 1 CYS A CB 1 ATOM 133 S SG . CYS A 1 17 ? -18.565 -35.386 23.170 1.00 30.35 ? 1 CYS A SG 1 ATOM 134 N N . GLY A 1 18 ? -15.841 -32.734 23.109 1.00 29.97 ? 2 GLY A N 1 ATOM 135 C CA . GLY A 1 18 ? -16.057 -31.430 23.713 1.00 30.49 ? 2 GLY A CA 1 ATOM 136 C C . GLY A 1 18 ? -15.089 -30.997 24.795 1.00 28.12 ? 2 GLY A C 1 ATOM 137 O O . GLY A 1 18 ? -15.370 -30.051 25.525 1.00 28.07 ? 2 GLY A O 1 ATOM 138 N N . LEU A 1 19 ? -13.962 -31.686 24.906 1.00 24.02 ? 3 LEU A N 1 ATOM 139 C CA . LEU A 1 19 ? -12.962 -31.334 25.888 1.00 22.24 ? 3 LEU A CA 1 ATOM 140 C C . LEU A 1 19 ? -11.635 -31.203 25.178 1.00 22.01 ? 3 LEU A C 1 ATOM 141 O O . LEU A 1 19 ? -11.015 -32.200 24.831 1.00 22.95 ? 3 LEU A O 1 ATOM 142 C CB . LEU A 1 19 ? -12.892 -32.410 26.949 1.00 26.10 ? 3 LEU A CB 1 ATOM 143 C CG . LEU A 1 19 ? -14.138 -32.467 27.823 1.00 28.63 ? 3 LEU A CG 1 ATOM 144 C CD1 . LEU A 1 19 ? -14.001 -33.579 28.855 1.00 32.58 ? 3 LEU A CD1 1 ATOM 145 C CD2 . LEU A 1 19 ? -14.308 -31.131 28.518 1.00 31.14 ? 3 LEU A CD2 1 ATOM 146 N N . ARG A 1 20 ? -11.203 -29.965 24.966 1.00 22.22 ? 4 ARG A N 1 ATOM 147 C CA . ARG A 1 20 ? -9.951 -29.686 24.268 1.00 24.02 ? 4 ARG A CA 1 ATOM 148 C C . ARG A 1 20 ? -8.713 -29.961 25.117 1.00 28.28 ? 4 ARG A C 1 ATOM 149 O O . ARG A 1 20 ? -8.619 -29.531 26.269 1.00 30.68 ? 4 ARG A O 1 ATOM 150 C CB . ARG A 1 20 ? -9.946 -28.242 23.808 1.00 20.75 ? 4 ARG A CB 1 ATOM 151 C CG . ARG A 1 20 ? -11.122 -27.893 22.948 1.00 15.58 ? 4 ARG A CG 1 ATOM 152 C CD . ARG A 1 20 ? -11.259 -26.410 22.859 1.00 12.53 ? 4 ARG A CD 1 ATOM 153 N NE . ARG A 1 20 ? -11.389 -25.838 24.187 1.00 12.65 ? 4 ARG A NE 1 ATOM 154 C CZ . ARG A 1 20 ? -11.642 -24.557 24.424 1.00 16.43 ? 4 ARG A CZ 1 ATOM 155 N NH1 . ARG A 1 20 ? -11.788 -23.707 23.414 1.00 19.69 ? 4 ARG A NH1 1 ATOM 156 N NH2 . ARG A 1 20 ? -11.775 -24.128 25.671 1.00 16.36 ? 4 ARG A NH2 1 ATOM 157 N N . PRO A 1 21 ? -7.732 -30.669 24.544 1.00 30.22 ? 5 PRO A N 1 ATOM 158 C CA . PRO A 1 21 ? -6.485 -31.031 25.213 1.00 32.23 ? 5 PRO A CA 1 ATOM 159 C C . PRO A 1 21 ? -5.678 -29.849 25.709 1.00 34.12 ? 5 PRO A C 1 ATOM 160 O O . PRO A 1 21 ? -5.053 -29.920 26.767 1.00 36.88 ? 5 PRO A O 1 ATOM 161 C CB . PRO A 1 21 ? -5.734 -31.817 24.142 1.00 31.65 ? 5 PRO A CB 1 ATOM 162 C CG . PRO A 1 21 ? -6.824 -32.408 23.342 1.00 33.45 ? 5 PRO A CG 1 ATOM 163 C CD . PRO A 1 21 ? -7.764 -31.238 23.192 1.00 31.07 ? 5 PRO A CD 1 ATOM 164 N N . LEU A 1 22 ? -5.684 -28.759 24.956 1.00 33.91 ? 6 LEU A N 1 ATOM 165 C CA . LEU A 1 22 ? -4.898 -27.608 25.366 1.00 35.67 ? 6 LEU A CA 1 ATOM 166 C C . LEU A 1 22 ? -5.613 -26.579 26.217 1.00 36.21 ? 6 LEU A C 1 ATOM 167 O O . LEU A 1 22 ? -5.110 -25.470 26.390 1.00 37.52 ? 6 LEU A O 1 ATOM 168 C CB . LEU A 1 22 ? -4.311 -26.914 24.143 1.00 36.59 ? 6 LEU A CB 1 ATOM 169 C CG . LEU A 1 22 ? -3.354 -27.761 23.303 1.00 37.79 ? 6 LEU A CG 1 ATOM 170 C CD1 . LEU A 1 22 ? -2.576 -26.832 22.377 1.00 39.01 ? 6 LEU A CD1 1 ATOM 171 C CD2 . LEU A 1 22 ? -2.385 -28.536 24.193 1.00 37.06 ? 6 LEU A CD2 1 ATOM 172 N N . PHE A 1 23 ? -6.780 -26.931 26.747 1.00 35.41 ? 7 PHE A N 1 ATOM 173 C CA . PHE A 1 23 ? -7.534 -25.996 27.572 1.00 33.73 ? 7 PHE A CA 1 ATOM 174 C C . PHE A 1 23 ? -8.260 -26.719 28.696 1.00 34.33 ? 7 PHE A C 1 ATOM 175 O O . PHE A 1 23 ? -7.779 -26.746 29.831 1.00 33.73 ? 7 PHE A O 1 ATOM 176 C CB . PHE A 1 23 ? -8.515 -25.206 26.697 1.00 31.15 ? 7 PHE A CB 1 ATOM 177 C CG . PHE A 1 23 ? -7.837 -24.272 25.728 1.00 26.89 ? 7 PHE A CG 1 ATOM 178 C CD1 . PHE A 1 23 ? -7.649 -22.937 26.048 1.00 26.23 ? 7 PHE A CD1 1 ATOM 179 C CD2 . PHE A 1 23 ? -7.325 -24.745 24.528 1.00 25.56 ? 7 PHE A CD2 1 ATOM 180 C CE1 . PHE A 1 23 ? -6.956 -22.091 25.192 1.00 26.02 ? 7 PHE A CE1 1 ATOM 181 C CE2 . PHE A 1 23 ? -6.632 -23.911 23.671 1.00 24.71 ? 7 PHE A CE2 1 ATOM 182 C CZ . PHE A 1 23 ? -6.446 -22.580 24.003 1.00 25.47 ? 7 PHE A CZ 1 ATOM 183 N N . GLU A 1 24 ? -9.409 -27.310 28.381 1.00 35.84 ? 8 GLU A N 1 ATOM 184 C CA . GLU A 1 24 ? -10.192 -28.039 29.379 1.00 37.28 ? 8 GLU A CA 1 ATOM 185 C C . GLU A 1 24 ? -9.320 -29.000 30.195 1.00 38.06 ? 8 GLU A C 1 ATOM 186 O O . GLU A 1 24 ? -9.121 -28.826 31.399 1.00 38.41 ? 8 GLU A O 1 ATOM 187 C CB . GLU A 1 24 ? -11.328 -28.826 28.705 1.00 34.50 ? 8 GLU A CB 1 ATOM 188 C CG . GLU A 1 24 ? -12.517 -27.987 28.288 1.00 31.19 ? 8 GLU A CG 1 ATOM 189 C CD . GLU A 1 24 ? -12.150 -26.933 27.277 1.00 29.31 ? 8 GLU A CD 1 ATOM 190 O OE1 . GLU A 1 24 ? -11.375 -27.253 26.349 1.00 25.10 ? 8 GLU A OE1 1 ATOM 191 O OE2 . GLU A 1 24 ? -12.645 -25.792 27.402 1.00 27.52 ? 8 GLU A OE2 1 ATOM 192 N N . LYS A 1 25 ? -8.803 -30.019 29.533 1.00 38.13 ? 9 LYS A N 1 ATOM 193 C CA . LYS A 1 25 ? -7.974 -30.984 30.212 1.00 39.20 ? 9 LYS A CA 1 ATOM 194 C C . LYS A 1 25 ? -6.951 -30.263 31.094 1.00 39.47 ? 9 LYS A C 1 ATOM 195 O O . LYS A 1 25 ? -6.633 -30.735 32.183 1.00 41.02 ? 9 LYS A O 1 ATOM 196 C CB . LYS A 1 25 ? -7.257 -31.850 29.180 1.00 41.33 ? 9 LYS A CB 1 ATOM 197 C CG . LYS A 1 25 ? -8.168 -32.540 28.151 1.00 43.49 ? 9 LYS A CG 1 ATOM 198 C CD . LYS A 1 25 ? -8.794 -33.817 28.706 1.00 44.48 ? 9 LYS A CD 1 ATOM 199 C CE . LYS A 1 25 ? -9.218 -34.759 27.585 1.00 45.25 ? 9 LYS A CE 1 ATOM 200 N NZ . LYS A 1 25 ? -9.612 -36.090 28.128 1.00 43.58 ? 9 LYS A NZ 1 ATOM 201 N N . LYS A 1 26 ? -6.456 -29.114 30.628 1.00 38.58 ? 10 LYS A N 1 ATOM 202 C CA . LYS A 1 26 ? -5.441 -28.343 31.364 1.00 37.70 ? 10 LYS A CA 1 ATOM 203 C C . LYS A 1 26 ? -5.999 -27.268 32.268 1.00 35.35 ? 10 LYS A C 1 ATOM 204 O O . LYS A 1 26 ? -5.240 -26.548 32.898 1.00 35.33 ? 10 LYS A O 1 ATOM 205 C CB . LYS A 1 26 ? -4.459 -27.644 30.413 1.00 37.64 ? 10 LYS A CB 1 ATOM 206 C CG . LYS A 1 26 ? -3.316 -28.468 29.843 1.00 36.91 ? 10 LYS A CG 1 ATOM 207 C CD . LYS A 1 26 ? -2.480 -27.556 28.943 1.00 39.22 ? 10 LYS A CD 1 ATOM 208 C CE . LYS A 1 26 ? -1.263 -28.241 28.331 1.00 44.22 ? 10 LYS A CE 1 ATOM 209 N NZ . LYS A 1 26 ? -0.327 -27.266 27.651 1.00 44.07 ? 10 LYS A NZ 1 ATOM 210 N N . SER A 1 27 ? -7.310 -27.132 32.320 1.00 33.38 ? 11 SER A N 1 ATOM 211 C CA . SER A 1 27 ? -7.894 -26.106 33.164 1.00 34.09 ? 11 SER A CA 1 ATOM 212 C C . SER A 1 27 ? -7.464 -24.711 32.721 1.00 33.22 ? 11 SER A C 1 ATOM 213 O O . SER A 1 27 ? -7.220 -23.836 33.548 1.00 34.70 ? 11 SER A O 1 ATOM 214 C CB . SER A 1 27 ? -7.478 -26.332 34.610 1.00 34.63 ? 11 SER A CB 1 ATOM 215 O OG . SER A 1 27 ? -7.674 -27.685 34.952 1.00 36.21 ? 11 SER A OG 1 ATOM 216 N N . LEU A 1 28 ? -7.367 -24.512 31.414 1.00 32.46 ? 12 LEU A N 1 ATOM 217 C CA . LEU A 1 28 ? -6.992 -23.221 30.863 1.00 33.44 ? 12 LEU A CA 1 ATOM 218 C C . LEU A 1 28 ? -8.130 -22.712 29.999 1.00 33.39 ? 12 LEU A C 1 ATOM 219 O O . LEU A 1 28 ? -8.594 -23.421 29.109 1.00 34.43 ? 12 LEU A O 1 ATOM 220 C CB . LEU A 1 28 ? -5.750 -23.357 29.991 1.00 36.78 ? 12 LEU A CB 1 ATOM 221 C CG . LEU A 1 28 ? -4.356 -23.335 30.608 1.00 40.79 ? 12 LEU A CG 1 ATOM 222 C CD1 . LEU A 1 28 ? -4.379 -24.043 31.949 1.00 44.34 ? 12 LEU A CD1 1 ATOM 223 C CD2 . LEU A 1 28 ? -3.360 -23.983 29.645 1.00 41.51 ? 12 LEU A CD2 1 ATOM 224 N N . LYS A 1 29 ? -8.586 -21.492 30.255 1.00 31.76 ? 13 LYS A N 1 ATOM 225 C CA . LYS A 1 29 ? -9.657 -20.920 29.453 1.00 31.43 ? 13 LYS A CA 1 ATOM 226 C C . LYS A 1 29 ? -9.009 -20.218 28.261 1.00 29.90 ? 13 LYS A C 1 ATOM 227 O O . LYS A 1 29 ? -7.884 -19.736 28.366 1.00 30.46 ? 13 LYS A O 1 ATOM 228 C CB . LYS A 1 29 ? -10.456 -19.917 30.278 1.00 35.11 ? 13 LYS A CB 1 ATOM 229 C CG . LYS A 1 29 ? -10.946 -20.455 31.610 1.00 41.34 ? 13 LYS A CG 1 ATOM 230 C CD . LYS A 1 29 ? -11.968 -19.517 32.245 1.00 49.11 ? 13 LYS A CD 1 ATOM 231 C CE . LYS A 1 29 ? -11.395 -18.114 32.438 1.00 52.86 ? 13 LYS A CE 1 ATOM 232 N NZ . LYS A 1 29 ? -12.406 -17.113 32.898 1.00 57.30 ? 13 LYS A NZ 1 ATOM 233 N N . ASP A 1 30 ? -9.698 -20.164 27.128 1.00 28.66 ? 14 ASP A N 1 ATOM 234 C CA . ASP A 1 30 ? -9.130 -19.504 25.958 1.00 29.14 ? 14 ASP A CA 1 ATOM 235 C C . ASP A 1 30 ? -9.533 -18.041 25.959 1.00 30.43 ? 14 ASP A C 1 ATOM 236 O O . ASP A 1 30 ? -10.442 -17.644 26.673 1.00 31.35 ? 14 ASP A O 1 ATOM 237 C CB . ASP A 1 30 ? -9.614 -20.169 24.669 1.00 29.17 ? 14 ASP A CB 1 ATOM 238 C CG . ASP A 1 30 ? -11.086 -19.905 24.383 1.00 29.73 ? 14 ASP A CG 1 ATOM 239 O OD1 . ASP A 1 30 ? -11.470 -18.726 24.252 1.00 29.98 ? 14 ASP A OD1 1 ATOM 240 O OD2 . ASP A 1 30 ? -11.861 -20.878 24.277 1.00 29.68 ? 14 ASP A OD2 1 ATOM 241 N N . THR A 1 31 A -8.871 -17.247 25.137 1.00 31.76 ? 14 THR A N 1 ATOM 242 C CA . THR A 1 31 A -9.136 -15.820 25.052 1.00 34.70 ? 14 THR A CA 1 ATOM 243 C C . THR A 1 31 A -10.569 -15.321 25.152 1.00 34.18 ? 14 THR A C 1 ATOM 244 O O . THR A 1 31 A -10.831 -14.376 25.886 1.00 34.10 ? 14 THR A O 1 ATOM 245 C CB . THR A 1 31 A -8.571 -15.240 23.761 1.00 37.92 ? 14 THR A CB 1 ATOM 246 O OG1 . THR A 1 31 A -7.173 -15.528 23.685 1.00 41.38 ? 14 THR A OG1 1 ATOM 247 C CG2 . THR A 1 31 A -8.763 -13.732 23.732 1.00 40.39 ? 14 THR A CG2 1 ATOM 248 N N . THR A 1 32 B -11.500 -15.936 24.434 1.00 35.29 ? 14 THR A N 1 ATOM 249 C CA . THR A 1 32 B -12.872 -15.428 24.449 1.00 36.49 ? 14 THR A CA 1 ATOM 250 C C . THR A 1 32 B -14.014 -16.214 25.116 1.00 38.83 ? 14 THR A C 1 ATOM 251 O O . THR A 1 32 B -15.168 -15.789 25.055 1.00 40.17 ? 14 THR A O 1 ATOM 252 C CB . THR A 1 32 B -13.299 -15.086 23.015 1.00 34.63 ? 14 THR A CB 1 ATOM 253 O OG1 . THR A 1 32 B -12.148 -15.105 22.160 1.00 34.01 ? 14 THR A OG1 1 ATOM 254 C CG2 . THR A 1 32 B -13.912 -13.701 22.972 1.00 33.64 ? 14 THR A CG2 1 ATOM 255 N N . GLU A 1 33 C -13.709 -17.337 25.759 1.00 39.42 ? 14 GLU A N 1 ATOM 256 C CA . GLU A 1 33 C -14.741 -18.134 26.422 1.00 38.64 ? 14 GLU A CA 1 ATOM 257 C C . GLU A 1 33 C -15.743 -17.297 27.194 1.00 38.86 ? 14 GLU A C 1 ATOM 258 O O . GLU A 1 33 C -16.943 -17.357 26.943 1.00 35.85 ? 14 GLU A O 1 ATOM 259 C CB . GLU A 1 33 C -14.121 -19.113 27.408 1.00 39.84 ? 14 GLU A CB 1 ATOM 260 C CG . GLU A 1 33 C -13.481 -20.319 26.792 1.00 42.69 ? 14 GLU A CG 1 ATOM 261 C CD . GLU A 1 33 C -13.051 -21.320 27.843 1.00 45.56 ? 14 GLU A CD 1 ATOM 262 O OE1 . GLU A 1 33 C -13.893 -21.688 28.701 1.00 44.66 ? 14 GLU A OE1 1 ATOM 263 O OE2 . GLU A 1 33 C -11.873 -21.734 27.805 1.00 47.12 ? 14 GLU A OE2 1 ATOM 264 N N . LYS A 1 34 D -15.235 -16.529 28.151 1.00 41.54 ? 14 LYS A N 1 ATOM 265 C CA . LYS A 1 34 D -16.085 -15.706 28.990 1.00 44.23 ? 14 LYS A CA 1 ATOM 266 C C . LYS A 1 34 D -17.171 -14.987 28.206 1.00 44.90 ? 14 LYS A C 1 ATOM 267 O O . LYS A 1 34 D -18.290 -14.850 28.698 1.00 47.61 ? 14 LYS A O 1 ATOM 268 C CB . LYS A 1 34 D -15.248 -14.702 29.794 1.00 45.66 ? 14 LYS A CB 1 ATOM 269 C CG . LYS A 1 34 D -16.088 -13.708 30.603 1.00 48.16 ? 14 LYS A CG 1 ATOM 270 C CD . LYS A 1 34 D -15.469 -13.334 31.958 1.00 48.69 ? 14 LYS A CD 1 ATOM 271 C CE . LYS A 1 34 D -15.737 -14.401 33.023 1.00 48.97 ? 14 LYS A CE 1 ATOM 272 N NZ . LYS A 1 34 D -15.172 -14.058 34.369 1.00 44.66 ? 14 LYS A NZ 1 ATOM 273 N N . GLU A 1 35 E -16.872 -14.536 26.992 1.00 43.56 ? 14 GLU A N 1 ATOM 274 C CA . GLU A 1 35 E -17.912 -13.850 26.225 1.00 42.39 ? 14 GLU A CA 1 ATOM 275 C C . GLU A 1 35 E -19.090 -14.765 25.903 1.00 41.71 ? 14 GLU A C 1 ATOM 276 O O . GLU A 1 35 E -20.208 -14.290 25.658 1.00 41.65 ? 14 GLU A O 1 ATOM 277 C CB . GLU A 1 35 E -17.380 -13.276 24.913 1.00 40.31 ? 14 GLU A CB 1 ATOM 278 C CG . GLU A 1 35 E -18.515 -12.832 24.007 1.00 36.47 ? 14 GLU A CG 1 ATOM 279 C CD . GLU A 1 35 E -18.038 -12.260 22.708 1.00 37.20 ? 14 GLU A CD 1 ATOM 280 O OE1 . GLU A 1 35 E -17.088 -12.818 22.128 1.00 36.63 ? 14 GLU A OE1 1 ATOM 281 O OE2 . GLU A 1 35 E -18.623 -11.255 22.257 1.00 38.29 ? 14 GLU A OE2 1 ATOM 282 N N . LEU A 1 36 F -18.833 -16.072 25.891 1.00 39.45 ? 14 LEU A N 1 ATOM 283 C CA . LEU A 1 36 F -19.871 -17.052 25.605 1.00 37.56 ? 14 LEU A CA 1 ATOM 284 C C . LEU A 1 36 F -20.517 -17.554 26.889 1.00 37.68 ? 14 LEU A C 1 ATOM 285 O O . LEU A 1 36 F -21.742 -17.539 27.024 1.00 39.01 ? 14 LEU A O 1 ATOM 286 C CB . LEU A 1 36 F -19.299 -18.241 24.828 1.00 35.21 ? 14 LEU A CB 1 ATOM 287 C CG . LEU A 1 36 F -18.787 -17.969 23.414 1.00 34.32 ? 14 LEU A CG 1 ATOM 288 C CD1 . LEU A 1 36 F -18.182 -19.230 22.819 1.00 33.80 ? 14 LEU A CD1 1 ATOM 289 C CD2 . LEU A 1 36 F -19.931 -17.479 22.561 1.00 33.46 ? 14 LEU A CD2 1 ATOM 290 N N . LEU A 1 37 G -19.702 -17.989 27.841 1.00 36.19 ? 14 LEU A N 1 ATOM 291 C CA . LEU A 1 37 G -20.246 -18.502 29.088 1.00 36.46 ? 14 LEU A CA 1 ATOM 292 C C . LEU A 1 37 G -21.155 -17.514 29.777 1.00 37.12 ? 14 LEU A C 1 ATOM 293 O O . LEU A 1 37 G -22.166 -17.891 30.361 1.00 37.25 ? 14 LEU A O 1 ATOM 294 C CB . LEU A 1 37 G -19.121 -18.895 30.031 1.00 37.04 ? 14 LEU A CB 1 ATOM 295 C CG . LEU A 1 37 G -18.365 -20.140 29.565 1.00 40.67 ? 14 LEU A CG 1 ATOM 296 C CD1 . LEU A 1 37 G -17.175 -20.402 30.479 1.00 44.63 ? 14 LEU A CD1 1 ATOM 297 C CD2 . LEU A 1 37 G -19.305 -21.336 29.564 1.00 41.18 ? 14 LEU A CD2 1 ATOM 298 N N . ASP A 1 38 H -20.791 -16.244 29.699 1.00 37.67 ? 14 ASP A N 1 ATOM 299 C CA . ASP A 1 38 H -21.566 -15.188 30.325 1.00 38.48 ? 14 ASP A CA 1 ATOM 300 C C . ASP A 1 38 H -22.874 -14.913 29.595 1.00 38.91 ? 14 ASP A C 1 ATOM 301 O O . ASP A 1 38 H -23.728 -14.182 30.099 1.00 42.31 ? 14 ASP A O 1 ATOM 302 C CB . ASP A 1 38 H -20.732 -13.904 30.392 1.00 38.78 ? 14 ASP A CB 1 ATOM 303 C CG . ASP A 1 38 H -19.507 -14.049 31.279 1.00 39.99 ? 14 ASP A CG 1 ATOM 304 O OD1 . ASP A 1 38 H -18.664 -13.127 31.279 1.00 38.79 ? 14 ASP A OD1 1 ATOM 305 O OD2 . ASP A 1 38 H -19.385 -15.082 31.980 1.00 40.53 ? 14 ASP A OD2 1 ATOM 306 N N . SER A 1 39 I -23.042 -15.500 28.416 1.00 37.27 ? 14 SER A N 1 ATOM 307 C CA . SER A 1 39 I -24.253 -15.267 27.645 1.00 37.58 ? 14 SER A CA 1 ATOM 308 C C . SER A 1 39 I -25.243 -16.368 27.904 1.00 36.25 ? 14 SER A C 1 ATOM 309 O O . SER A 1 39 I -26.297 -16.432 27.286 1.00 35.91 ? 14 SER A O 1 ATOM 310 C CB . SER A 1 39 I -23.947 -15.243 26.161 1.00 39.97 ? 14 SER A CB 1 ATOM 311 O OG . SER A 1 39 I -23.800 -16.572 25.699 1.00 45.78 ? 14 SER A OG 1 ATOM 312 N N . TYR A 1 40 J -24.895 -17.257 28.808 1.00 35.85 ? 14 TYR A N 1 ATOM 313 C CA . TYR A 1 40 J -25.799 -18.331 29.115 1.00 38.71 ? 14 TYR A CA 1 ATOM 314 C C . TYR A 1 40 J -26.516 -18.038 30.416 1.00 41.17 ? 14 TYR A C 1 ATOM 315 O O . TYR A 1 40 J -26.180 -18.589 31.469 1.00 39.50 ? 14 TYR A O 1 ATOM 316 C CB . TYR A 1 40 J -25.031 -19.635 29.185 1.00 38.56 ? 14 TYR A CB 1 ATOM 317 C CG . TYR A 1 40 J -24.233 -19.895 27.931 1.00 36.41 ? 14 TYR A CG 1 ATOM 318 C CD1 . TYR A 1 40 J -24.748 -19.581 26.677 1.00 35.24 ? 14 TYR A CD1 1 ATOM 319 C CD2 . TYR A 1 40 J -22.976 -20.492 27.997 1.00 37.15 ? 14 TYR A CD2 1 ATOM 320 C CE1 . TYR A 1 40 J -24.030 -19.855 25.521 1.00 36.74 ? 14 TYR A CE1 1 ATOM 321 C CE2 . TYR A 1 40 J -22.250 -20.771 26.849 1.00 37.47 ? 14 TYR A CE2 1 ATOM 322 C CZ . TYR A 1 40 J -22.781 -20.454 25.614 1.00 37.23 ? 14 TYR A CZ 1 ATOM 323 O OH . TYR A 1 40 J -22.061 -20.746 24.476 1.00 37.82 ? 14 TYR A OH 1 ATOM 324 N N . ILE A 1 41 K -27.504 -17.148 30.307 1.00 44.47 ? 14 ILE A N 1 ATOM 325 C CA . ILE A 1 41 K -28.343 -16.695 31.411 1.00 48.52 ? 14 ILE A CA 1 ATOM 326 C C . ILE A 1 41 K -29.299 -17.790 31.862 1.00 52.53 ? 14 ILE A C 1 ATOM 327 O O . ILE A 1 41 K -29.881 -17.724 32.944 1.00 50.98 ? 14 ILE A O 1 ATOM 328 C CB . ILE A 1 41 K -29.193 -15.514 30.981 1.00 47.43 ? 14 ILE A CB 1 ATOM 329 C CG1 . ILE A 1 41 K -28.346 -14.518 30.200 1.00 47.19 ? 14 ILE A CG1 1 ATOM 330 C CG2 . ILE A 1 41 K -29.788 -14.853 32.196 1.00 49.92 ? 14 ILE A CG2 1 ATOM 331 C CD1 . ILE A 1 41 K -29.156 -13.409 29.581 1.00 47.78 ? 14 ILE A CD1 1 ATOM 332 N N . ASP A 1 42 L -29.476 -18.783 31.001 1.00 58.69 ? 14 ASP A N 1 ATOM 333 C CA . ASP A 1 42 L -30.347 -19.914 31.283 1.00 66.08 ? 14 ASP A CA 1 ATOM 334 C C . ASP A 1 42 L -29.932 -20.562 32.594 1.00 71.22 ? 14 ASP A C 1 ATOM 335 O O . ASP A 1 42 L -28.738 -20.664 32.879 1.00 73.97 ? 14 ASP A O 1 ATOM 336 C CB . ASP A 1 42 L -30.220 -20.948 30.171 1.00 67.67 ? 14 ASP A CB 1 ATOM 337 C CG . ASP A 1 42 L -31.177 -22.105 30.341 1.00 71.58 ? 14 ASP A CG 1 ATOM 338 O OD1 . ASP A 1 42 L -31.333 -22.607 31.477 1.00 72.96 ? 14 ASP A OD1 1 ATOM 339 O OD2 . ASP A 1 42 L -31.770 -22.523 29.327 1.00 74.08 ? 14 ASP A OD2 1 ATOM 340 N N . GLY A 1 43 M -30.908 -21.017 33.380 1.00 75.23 ? 14 GLY A N 1 ATOM 341 C CA . GLY A 1 43 M -30.591 -21.663 34.647 1.00 78.93 ? 14 GLY A CA 1 ATOM 342 C C . GLY A 1 43 M -29.999 -23.056 34.484 1.00 81.10 ? 14 GLY A C 1 ATOM 343 O O . GLY A 1 43 M -28.770 -23.159 34.253 1.00 82.76 ? 14 GLY A O 1 ATOM 344 N N . ILE B 2 1 ? -13.830 -15.979 7.769 1.00 39.55 ? 16 ILE B N 1 ATOM 345 C CA . ILE B 2 1 ? -14.737 -15.310 8.736 1.00 40.20 ? 16 ILE B CA 1 ATOM 346 C C . ILE B 2 1 ? -14.475 -13.814 8.862 1.00 42.10 ? 16 ILE B C 1 ATOM 347 O O . ILE B 2 1 ? -13.359 -13.395 9.159 1.00 43.46 ? 16 ILE B O 1 ATOM 348 C CB . ILE B 2 1 ? -14.590 -15.920 10.106 1.00 39.54 ? 16 ILE B CB 1 ATOM 349 C CG1 . ILE B 2 1 ? -14.842 -17.415 10.011 1.00 41.36 ? 16 ILE B CG1 1 ATOM 350 C CG2 . ILE B 2 1 ? -15.557 -15.273 11.063 1.00 41.09 ? 16 ILE B CG2 1 ATOM 351 C CD1 . ILE B 2 1 ? -14.796 -18.130 11.344 1.00 45.79 ? 16 ILE B CD1 1 ATOM 352 N N . VAL B 2 2 ? -15.521 -13.020 8.658 1.00 43.08 ? 17 VAL B N 1 ATOM 353 C CA . VAL B 2 2 ? -15.433 -11.569 8.732 1.00 43.87 ? 17 VAL B CA 1 ATOM 354 C C . VAL B 2 2 ? -15.533 -11.065 10.161 1.00 45.61 ? 17 VAL B C 1 ATOM 355 O O . VAL B 2 2 ? -16.374 -11.534 10.921 1.00 45.85 ? 17 VAL B O 1 ATOM 356 C CB . VAL B 2 2 ? -16.565 -10.922 7.936 1.00 44.46 ? 17 VAL B CB 1 ATOM 357 C CG1 . VAL B 2 2 ? -16.567 -9.431 8.167 1.00 46.94 ? 17 VAL B CG1 1 ATOM 358 C CG2 . VAL B 2 2 ? -16.417 -11.243 6.459 1.00 45.33 ? 17 VAL B CG2 1 ATOM 359 N N . GLU B 2 3 ? -14.678 -10.107 10.514 1.00 47.35 ? 18 GLU B N 1 ATOM 360 C CA . GLU B 2 3 ? -14.676 -9.513 11.852 1.00 49.59 ? 18 GLU B CA 1 ATOM 361 C C . GLU B 2 3 ? -14.191 -10.471 12.940 1.00 47.79 ? 18 GLU B C 1 ATOM 362 O O . GLU B 2 3 ? -14.303 -10.170 14.128 1.00 49.09 ? 18 GLU B O 1 ATOM 363 C CB . GLU B 2 3 ? -16.092 -9.028 12.218 1.00 54.15 ? 18 GLU B CB 1 ATOM 364 C CG . GLU B 2 3 ? -16.649 -7.884 11.378 1.00 60.47 ? 18 GLU B CG 1 ATOM 365 C CD . GLU B 2 3 ? -16.097 -6.537 11.798 1.00 65.86 ? 18 GLU B CD 1 ATOM 366 O OE1 . GLU B 2 3 ? -16.274 -6.166 12.980 1.00 68.85 ? 18 GLU B OE1 1 ATOM 367 O OE2 . GLU B 2 3 ? -15.487 -5.849 10.952 1.00 70.51 ? 18 GLU B OE2 1 ATOM 368 N N . GLY B 2 4 ? -13.659 -11.622 12.548 1.00 45.08 ? 19 GLY B N 1 ATOM 369 C CA . GLY B 2 4 ? -13.201 -12.578 13.542 1.00 44.16 ? 19 GLY B CA 1 ATOM 370 C C . GLY B 2 4 ? -11.759 -12.330 13.918 1.00 44.59 ? 19 GLY B C 1 ATOM 371 O O . GLY B 2 4 ? -11.272 -11.215 13.773 1.00 47.93 ? 19 GLY B O 1 ATOM 372 N N . TRP B 2 5 ? -11.069 -13.362 14.393 1.00 42.41 ? 20 TRP B N 1 ATOM 373 C CA . TRP B 2 5 ? -9.666 -13.213 14.763 1.00 39.93 ? 20 TRP B CA 1 ATOM 374 C C . TRP B 2 5 ? -8.857 -14.515 14.730 1.00 39.71 ? 20 TRP B C 1 ATOM 375 O O . TRP B 2 5 ? -9.409 -15.607 14.552 1.00 40.32 ? 20 TRP B O 1 ATOM 376 C CB . TRP B 2 5 ? -9.584 -12.591 16.142 1.00 38.13 ? 20 TRP B CB 1 ATOM 377 C CG . TRP B 2 5 ? -10.313 -13.362 17.164 1.00 33.28 ? 20 TRP B CG 1 ATOM 378 C CD1 . TRP B 2 5 ? -9.826 -14.372 17.937 1.00 34.45 ? 20 TRP B CD1 1 ATOM 379 C CD2 . TRP B 2 5 ? -11.652 -13.154 17.568 1.00 30.08 ? 20 TRP B CD2 1 ATOM 380 N NE1 . TRP B 2 5 ? -10.786 -14.803 18.815 1.00 30.89 ? 20 TRP B NE1 1 ATOM 381 C CE2 . TRP B 2 5 ? -11.916 -14.072 18.610 1.00 30.11 ? 20 TRP B CE2 1 ATOM 382 C CE3 . TRP B 2 5 ? -12.657 -12.284 17.157 1.00 32.48 ? 20 TRP B CE3 1 ATOM 383 C CZ2 . TRP B 2 5 ? -13.150 -14.135 19.249 1.00 32.38 ? 20 TRP B CZ2 1 ATOM 384 C CZ3 . TRP B 2 5 ? -13.889 -12.347 17.793 1.00 36.71 ? 20 TRP B CZ3 1 ATOM 385 C CH2 . TRP B 2 5 ? -14.124 -13.271 18.830 1.00 35.24 ? 20 TRP B CH2 1 ATOM 386 N N . ASP B 2 6 ? -7.541 -14.390 14.899 1.00 36.48 ? 21 ASP B N 1 ATOM 387 C CA . ASP B 2 6 ? -6.656 -15.549 14.886 1.00 33.69 ? 21 ASP B CA 1 ATOM 388 C C . ASP B 2 6 ? -6.977 -16.527 15.998 1.00 32.89 ? 21 ASP B C 1 ATOM 389 O O . ASP B 2 6 ? -6.993 -16.160 17.172 1.00 33.89 ? 21 ASP B O 1 ATOM 390 C CB . ASP B 2 6 ? -5.203 -15.108 15.013 1.00 32.09 ? 21 ASP B CB 1 ATOM 391 C CG . ASP B 2 6 ? -4.656 -14.590 13.725 1.00 31.28 ? 21 ASP B CG 1 ATOM 392 O OD1 . ASP B 2 6 ? -5.253 -13.650 13.175 1.00 32.84 ? 21 ASP B OD1 1 ATOM 393 O OD2 . ASP B 2 6 ? -3.635 -15.126 13.259 1.00 32.09 ? 21 ASP B OD2 1 ATOM 394 N N . ALA B 2 7 ? -7.222 -17.778 15.627 1.00 30.13 ? 22 ALA B N 1 ATOM 395 C CA . ALA B 2 7 ? -7.540 -18.795 16.612 1.00 27.89 ? 22 ALA B CA 1 ATOM 396 C C . ALA B 2 7 ? -6.293 -19.337 17.269 1.00 28.24 ? 22 ALA B C 1 ATOM 397 O O . ALA B 2 7 ? -5.328 -19.698 16.597 1.00 26.78 ? 22 ALA B O 1 ATOM 398 C CB . ALA B 2 7 ? -8.301 -19.918 15.972 1.00 27.25 ? 22 ALA B CB 1 ATOM 399 N N . GLU B 2 8 ? -6.317 -19.377 18.597 1.00 30.59 ? 23 GLU B N 1 ATOM 400 C CA . GLU B 2 8 ? -5.195 -19.900 19.368 1.00 32.02 ? 23 GLU B CA 1 ATOM 401 C C . GLU B 2 8 ? -5.012 -21.348 18.935 1.00 30.66 ? 23 GLU B C 1 ATOM 402 O O . GLU B 2 8 ? -5.988 -22.032 18.619 1.00 28.94 ? 23 GLU B O 1 ATOM 403 C CB . GLU B 2 8 ? -5.517 -19.850 20.861 1.00 32.88 ? 23 GLU B CB 1 ATOM 404 C CG . GLU B 2 8 ? -5.886 -18.480 21.366 1.00 32.58 ? 23 GLU B CG 1 ATOM 405 C CD . GLU B 2 8 ? -6.461 -18.543 22.750 1.00 35.23 ? 23 GLU B CD 1 ATOM 406 O OE1 . GLU B 2 8 ? -5.816 -19.145 23.640 1.00 34.73 ? 23 GLU B OE1 1 ATOM 407 O OE2 . GLU B 2 8 ? -7.563 -17.992 22.942 1.00 37.38 ? 23 GLU B OE2 1 ATOM 408 N N . LYS B 2 9 ? -3.780 -21.829 18.905 1.00 28.13 ? 24 LYS B N 1 ATOM 409 C CA . LYS B 2 9 ? -3.614 -23.200 18.493 1.00 27.94 ? 24 LYS B CA 1 ATOM 410 C C . LYS B 2 9 ? -4.452 -24.106 19.373 1.00 25.99 ? 24 LYS B C 1 ATOM 411 O O . LYS B 2 9 ? -4.688 -23.817 20.540 1.00 25.46 ? 24 LYS B O 1 ATOM 412 C CB . LYS B 2 9 ? -2.148 -23.614 18.537 1.00 32.08 ? 24 LYS B CB 1 ATOM 413 C CG . LYS B 2 9 ? -1.381 -23.197 17.293 1.00 38.55 ? 24 LYS B CG 1 ATOM 414 C CD . LYS B 2 9 ? -0.079 -23.986 17.141 1.00 45.32 ? 24 LYS B CD 1 ATOM 415 C CE . LYS B 2 9 ? 0.613 -23.706 15.795 1.00 49.46 ? 24 LYS B CE 1 ATOM 416 N NZ . LYS B 2 9 ? 1.065 -22.282 15.632 1.00 51.95 ? 24 LYS B NZ 1 ATOM 417 N N . GLY B 2 10 ? -4.925 -25.195 18.787 1.00 25.20 ? 25 GLY B N 1 ATOM 418 C CA . GLY B 2 10 ? -5.739 -26.138 19.524 1.00 24.54 ? 25 GLY B CA 1 ATOM 419 C C . GLY B 2 10 ? -6.969 -25.543 20.171 1.00 23.09 ? 25 GLY B C 1 ATOM 420 O O . GLY B 2 10 ? -7.429 -26.056 21.187 1.00 24.21 ? 25 GLY B O 1 ATOM 421 N N . ILE B 2 11 ? -7.503 -24.465 19.602 1.00 21.18 ? 26 ILE B N 1 ATOM 422 C CA . ILE B 2 11 ? -8.690 -23.858 20.172 1.00 18.27 ? 26 ILE B CA 1 ATOM 423 C C . ILE B 2 11 ? -9.874 -24.685 19.739 1.00 16.68 ? 26 ILE B C 1 ATOM 424 O O . ILE B 2 11 ? -10.787 -24.895 20.512 1.00 15.93 ? 26 ILE B O 1 ATOM 425 C CB . ILE B 2 11 ? -8.883 -22.385 19.724 1.00 18.35 ? 26 ILE B CB 1 ATOM 426 C CG1 . ILE B 2 11 ? -9.854 -21.684 20.667 1.00 18.92 ? 26 ILE B CG1 1 ATOM 427 C CG2 . ILE B 2 11 ? -9.487 -22.311 18.355 1.00 15.90 ? 26 ILE B CG2 1 ATOM 428 C CD1 . ILE B 2 11 ? -9.966 -20.207 20.405 1.00 22.21 ? 26 ILE B CD1 1 ATOM 429 N N . ALA B 2 12 ? -9.842 -25.176 18.507 1.00 16.86 ? 27 ALA B N 1 ATOM 430 C CA . ALA B 2 12 ? -10.930 -25.999 17.980 1.00 21.09 ? 27 ALA B CA 1 ATOM 431 C C . ALA B 2 12 ? -10.346 -27.247 17.305 1.00 23.55 ? 27 ALA B C 1 ATOM 432 O O . ALA B 2 12 ? -10.240 -27.321 16.080 1.00 25.60 ? 27 ALA B O 1 ATOM 433 C CB . ALA B 2 12 ? -11.763 -25.188 16.983 1.00 19.95 ? 27 ALA B CB 1 ATOM 434 N N . PRO B 2 13 ? -9.984 -28.259 18.103 1.00 24.17 ? 28 PRO B N 1 ATOM 435 C CA . PRO B 2 13 ? -9.402 -29.499 17.586 1.00 23.04 ? 28 PRO B CA 1 ATOM 436 C C . PRO B 2 13 ? -10.318 -30.205 16.645 1.00 22.12 ? 28 PRO B C 1 ATOM 437 O O . PRO B 2 13 ? -9.891 -31.122 15.970 1.00 24.63 ? 28 PRO B O 1 ATOM 438 C CB . PRO B 2 13 ? -9.184 -30.349 18.832 1.00 22.18 ? 28 PRO B CB 1 ATOM 439 C CG . PRO B 2 13 ? -9.191 -29.359 19.945 1.00 26.59 ? 28 PRO B CG 1 ATOM 440 C CD . PRO B 2 13 ? -10.261 -28.390 19.536 1.00 25.40 ? 28 PRO B CD 1 ATOM 441 N N . TRP B 2 14 ? -11.578 -29.793 16.609 1.00 20.28 ? 29 TRP B N 1 ATOM 442 C CA . TRP B 2 14 ? -12.553 -30.460 15.756 1.00 17.90 ? 29 TRP B CA 1 ATOM 443 C C . TRP B 2 14 ? -12.655 -29.851 14.388 1.00 15.37 ? 29 TRP B C 1 ATOM 444 O O . TRP B 2 14 ? -13.081 -30.508 13.444 1.00 16.82 ? 29 TRP B O 1 ATOM 445 C CB . TRP B 2 14 ? -13.930 -30.464 16.428 1.00 20.28 ? 29 TRP B CB 1 ATOM 446 C CG . TRP B 2 14 ? -14.262 -29.180 17.095 1.00 19.28 ? 29 TRP B CG 1 ATOM 447 C CD1 . TRP B 2 14 ? -14.552 -28.001 16.495 1.00 22.28 ? 29 TRP B CD1 1 ATOM 448 C CD2 . TRP B 2 14 ? -14.242 -28.924 18.495 1.00 17.54 ? 29 TRP B CD2 1 ATOM 449 N NE1 . TRP B 2 14 ? -14.716 -27.015 17.435 1.00 21.63 ? 29 TRP B NE1 1 ATOM 450 C CE2 . TRP B 2 14 ? -14.538 -27.557 18.665 1.00 19.30 ? 29 TRP B CE2 1 ATOM 451 C CE3 . TRP B 2 14 ? -14.021 -29.719 19.611 1.00 17.74 ? 29 TRP B CE3 1 ATOM 452 C CZ2 . TRP B 2 14 ? -14.591 -26.965 19.919 1.00 23.75 ? 29 TRP B CZ2 1 ATOM 453 C CZ3 . TRP B 2 14 ? -14.077 -29.131 20.854 1.00 22.32 ? 29 TRP B CZ3 1 ATOM 454 C CH2 . TRP B 2 14 ? -14.366 -27.764 21.001 1.00 24.70 ? 29 TRP B CH2 1 ATOM 455 N N . GLN B 2 15 ? -12.265 -28.592 14.287 1.00 12.43 ? 30 GLN B N 1 ATOM 456 C CA . GLN B 2 15 ? -12.302 -27.883 13.023 1.00 12.05 ? 30 GLN B CA 1 ATOM 457 C C . GLN B 2 15 ? -11.620 -28.703 11.942 1.00 11.97 ? 30 GLN B C 1 ATOM 458 O O . GLN B 2 15 ? -10.530 -29.220 12.149 1.00 13.78 ? 30 GLN B O 1 ATOM 459 C CB . GLN B 2 15 ? -11.574 -26.568 13.167 1.00 12.90 ? 30 GLN B CB 1 ATOM 460 C CG . GLN B 2 15 ? -11.524 -25.818 11.887 1.00 10.99 ? 30 GLN B CG 1 ATOM 461 C CD . GLN B 2 15 ? -12.894 -25.469 11.436 1.00 7.85 ? 30 GLN B CD 1 ATOM 462 O OE1 . GLN B 2 15 ? -13.625 -24.777 12.135 1.00 4.93 ? 30 GLN B OE1 1 ATOM 463 N NE2 . GLN B 2 15 ? -13.266 -25.954 10.269 1.00 8.50 ? 30 GLN B NE2 1 ATOM 464 N N . VAL B 2 16 ? -12.235 -28.808 10.776 1.00 10.57 ? 31 VAL B N 1 ATOM 465 C CA . VAL B 2 16 ? -11.633 -29.609 9.725 1.00 12.20 ? 31 VAL B CA 1 ATOM 466 C C . VAL B 2 16 ? -11.661 -28.938 8.386 1.00 11.70 ? 31 VAL B C 1 ATOM 467 O O . VAL B 2 16 ? -12.479 -28.067 8.147 1.00 12.90 ? 31 VAL B O 1 ATOM 468 C CB . VAL B 2 16 ? -12.345 -30.925 9.565 1.00 14.63 ? 31 VAL B CB 1 ATOM 469 C CG1 . VAL B 2 16 ? -11.587 -31.779 8.571 1.00 18.32 ? 31 VAL B CG1 1 ATOM 470 C CG2 . VAL B 2 16 ? -12.478 -31.612 10.914 1.00 16.20 ? 31 VAL B CG2 1 ATOM 471 N N . MET B 2 17 ? -10.785 -29.370 7.494 1.00 10.11 ? 32 MET B N 1 ATOM 472 C CA . MET B 2 17 ? -10.726 -28.767 6.181 1.00 11.73 ? 32 MET B CA 1 ATOM 473 C C . MET B 2 17 ? -11.116 -29.749 5.103 1.00 13.26 ? 32 MET B C 1 ATOM 474 O O . MET B 2 17 ? -10.543 -30.830 5.019 1.00 18.11 ? 32 MET B O 1 ATOM 475 C CB . MET B 2 17 ? -9.317 -28.257 5.924 1.00 13.94 ? 32 MET B CB 1 ATOM 476 C CG . MET B 2 17 ? -9.173 -27.407 4.681 1.00 18.60 ? 32 MET B CG 1 ATOM 477 S SD . MET B 2 17 ? -7.651 -26.431 4.724 1.00 27.30 ? 32 MET B SD 1 ATOM 478 C CE . MET B 2 17 ? -6.473 -27.655 4.111 1.00 24.73 ? 32 MET B CE 1 ATOM 479 N N . LEU B 2 18 ? -12.096 -29.387 4.281 1.00 11.88 ? 33 LEU B N 1 ATOM 480 C CA . LEU B 2 18 ? -12.516 -30.269 3.207 1.00 11.17 ? 33 LEU B CA 1 ATOM 481 C C . LEU B 2 18 ? -11.691 -29.920 1.983 1.00 14.37 ? 33 LEU B C 1 ATOM 482 O O . LEU B 2 18 ? -11.997 -28.973 1.269 1.00 15.06 ? 33 LEU B O 1 ATOM 483 C CB . LEU B 2 18 ? -13.995 -30.093 2.906 1.00 8.89 ? 33 LEU B CB 1 ATOM 484 C CG . LEU B 2 18 ? -14.448 -31.212 1.973 1.00 8.59 ? 33 LEU B CG 1 ATOM 485 C CD1 . LEU B 2 18 ? -14.051 -32.502 2.609 1.00 11.47 ? 33 LEU B CD1 1 ATOM 486 C CD2 . LEU B 2 18 ? -15.930 -31.202 1.732 1.00 8.97 ? 33 LEU B CD2 1 ATOM 487 N N . PHE B 2 19 ? -10.652 -30.711 1.741 1.00 18.76 ? 34 PHE B N 1 ATOM 488 C CA . PHE B 2 19 ? -9.717 -30.473 0.648 1.00 22.80 ? 34 PHE B CA 1 ATOM 489 C C . PHE B 2 19 ? -9.952 -31.225 -0.640 1.00 24.40 ? 34 PHE B C 1 ATOM 490 O O . PHE B 2 19 ? -10.044 -32.447 -0.640 1.00 25.88 ? 34 PHE B O 1 ATOM 491 C CB . PHE B 2 19 ? -8.308 -30.787 1.137 1.00 25.78 ? 34 PHE B CB 1 ATOM 492 C CG . PHE B 2 19 ? -7.261 -29.955 0.496 1.00 29.38 ? 34 PHE B CG 1 ATOM 493 C CD1 . PHE B 2 19 ? -6.538 -30.433 -0.585 1.00 32.37 ? 34 PHE B CD1 1 ATOM 494 C CD2 . PHE B 2 19 ? -7.022 -28.668 0.951 1.00 30.69 ? 34 PHE B CD2 1 ATOM 495 C CE1 . PHE B 2 19 ? -5.596 -29.633 -1.217 1.00 34.79 ? 34 PHE B CE1 1 ATOM 496 C CE2 . PHE B 2 19 ? -6.088 -27.858 0.334 1.00 34.83 ? 34 PHE B CE2 1 ATOM 497 C CZ . PHE B 2 19 ? -5.366 -28.343 -0.755 1.00 36.50 ? 34 PHE B CZ 1 ATOM 498 N N . ARG B 2 20 ? -10.024 -30.500 -1.747 1.00 25.48 ? 35 ARG B N 1 ATOM 499 C CA . ARG B 2 20 ? -10.215 -31.152 -3.030 1.00 29.62 ? 35 ARG B CA 1 ATOM 500 C C . ARG B 2 20 ? -8.861 -31.678 -3.502 1.00 32.64 ? 35 ARG B C 1 ATOM 501 O O . ARG B 2 20 ? -7.868 -30.948 -3.474 1.00 35.36 ? 35 ARG B O 1 ATOM 502 C CB . ARG B 2 20 ? -10.771 -30.174 -4.051 1.00 30.23 ? 35 ARG B CB 1 ATOM 503 C CG . ARG B 2 20 ? -10.916 -30.784 -5.428 1.00 35.03 ? 35 ARG B CG 1 ATOM 504 C CD . ARG B 2 20 ? -11.649 -29.858 -6.364 1.00 36.11 ? 35 ARG B CD 1 ATOM 505 N NE . ARG B 2 20 ? -11.769 -30.422 -7.702 1.00 37.56 ? 35 ARG B NE 1 ATOM 506 C CZ . ARG B 2 20 ? -12.438 -29.837 -8.686 1.00 38.05 ? 35 ARG B CZ 1 ATOM 507 N NH1 . ARG B 2 20 ? -13.040 -28.674 -8.460 1.00 37.85 ? 35 ARG B NH1 1 ATOM 508 N NH2 . ARG B 2 20 ? -12.501 -30.406 -9.886 1.00 37.70 ? 35 ARG B NH2 1 ATOM 509 N N . LYS B 2 21 ? -8.822 -32.936 -3.938 1.00 32.38 ? 36 LYS B N 1 ATOM 510 C CA . LYS B 2 21 ? -7.580 -33.550 -4.380 1.00 32.82 ? 36 LYS B CA 1 ATOM 511 C C . LYS B 2 21 ? -6.931 -32.914 -5.581 1.00 33.91 ? 36 LYS B C 1 ATOM 512 O O . LYS B 2 21 ? -5.790 -32.456 -5.493 1.00 36.21 ? 36 LYS B O 1 ATOM 513 C CB . LYS B 2 21 ? -7.787 -35.030 -4.670 1.00 33.65 ? 36 LYS B CB 1 ATOM 514 C CG . LYS B 2 21 ? -7.789 -35.896 -3.432 1.00 35.40 ? 36 LYS B CG 1 ATOM 515 C CD . LYS B 2 21 ? -7.783 -37.382 -3.754 1.00 36.36 ? 36 LYS B CD 1 ATOM 516 C CE . LYS B 2 21 ? -7.802 -38.214 -2.492 1.00 35.01 ? 36 LYS B CE 1 ATOM 517 N NZ . LYS B 2 21 ? -7.833 -39.662 -2.809 1.00 36.88 ? 36 LYS B NZ 1 ATOM 518 N N . SER B 2 22 A -7.649 -32.889 -6.702 1.00 32.77 ? 36 SER B N 1 ATOM 519 C CA . SER B 2 22 A -7.105 -32.334 -7.936 1.00 32.91 ? 36 SER B CA 1 ATOM 520 C C . SER B 2 22 A -8.126 -31.552 -8.748 1.00 33.73 ? 36 SER B C 1 ATOM 521 O O . SER B 2 22 A -9.120 -32.103 -9.204 1.00 36.38 ? 36 SER B O 1 ATOM 522 C CB . SER B 2 22 A -6.531 -33.465 -8.799 1.00 30.44 ? 36 SER B CB 1 ATOM 523 O OG . SER B 2 22 A -6.010 -32.978 -10.019 1.00 29.84 ? 36 SER B OG 1 ATOM 524 N N . PRO B 2 23 ? -7.888 -30.253 -8.942 1.00 33.83 ? 37 PRO B N 1 ATOM 525 C CA . PRO B 2 23 ? -6.706 -29.573 -8.418 1.00 34.44 ? 37 PRO B CA 1 ATOM 526 C C . PRO B 2 23 ? -6.884 -29.434 -6.924 1.00 34.65 ? 37 PRO B C 1 ATOM 527 O O . PRO B 2 23 ? -8.014 -29.530 -6.436 1.00 33.63 ? 37 PRO B O 1 ATOM 528 C CB . PRO B 2 23 ? -6.743 -28.227 -9.132 1.00 35.52 ? 37 PRO B CB 1 ATOM 529 C CG . PRO B 2 23 ? -8.209 -27.971 -9.260 1.00 35.87 ? 37 PRO B CG 1 ATOM 530 C CD . PRO B 2 23 ? -8.739 -29.319 -9.700 1.00 34.66 ? 37 PRO B CD 1 ATOM 531 N N . GLN B 2 24 ? -5.778 -29.239 -6.201 1.00 34.57 ? 38 GLN B N 1 ATOM 532 C CA . GLN B 2 24 ? -5.849 -29.064 -4.753 1.00 33.12 ? 38 GLN B CA 1 ATOM 533 C C . GLN B 2 24 ? -6.621 -27.778 -4.573 1.00 32.67 ? 38 GLN B C 1 ATOM 534 O O . GLN B 2 24 ? -6.342 -26.784 -5.236 1.00 30.83 ? 38 GLN B O 1 ATOM 535 C CB . GLN B 2 24 ? -4.462 -28.917 -4.123 1.00 32.52 ? 38 GLN B CB 1 ATOM 536 C CG . GLN B 2 24 ? -3.540 -30.113 -4.282 1.00 32.75 ? 38 GLN B CG 1 ATOM 537 C CD . GLN B 2 24 ? -2.366 -30.066 -3.313 1.00 33.06 ? 38 GLN B CD 1 ATOM 538 O OE1 . GLN B 2 24 ? -2.062 -29.022 -2.727 1.00 29.49 ? 38 GLN B OE1 1 ATOM 539 N NE2 . GLN B 2 24 ? -1.695 -31.201 -3.147 1.00 35.10 ? 38 GLN B NE2 1 ATOM 540 N N . GLU B 2 25 ? -7.592 -27.801 -3.677 1.00 33.70 ? 39 GLU B N 1 ATOM 541 C CA . GLU B 2 25 ? -8.422 -26.638 -3.455 1.00 35.93 ? 39 GLU B CA 1 ATOM 542 C C . GLU B 2 25 ? -9.123 -26.788 -2.115 1.00 36.03 ? 39 GLU B C 1 ATOM 543 O O . GLU B 2 25 ? -9.644 -27.862 -1.789 1.00 35.18 ? 39 GLU B O 1 ATOM 544 C CB . GLU B 2 25 ? -9.432 -26.541 -4.608 1.00 39.58 ? 39 GLU B CB 1 ATOM 545 C CG . GLU B 2 25 ? -10.527 -25.474 -4.505 1.00 46.99 ? 39 GLU B CG 1 ATOM 546 C CD . GLU B 2 25 ? -11.418 -25.434 -5.761 1.00 51.32 ? 39 GLU B CD 1 ATOM 547 O OE1 . GLU B 2 25 ? -12.037 -26.472 -6.104 1.00 53.19 ? 39 GLU B OE1 1 ATOM 548 O OE2 . GLU B 2 25 ? -11.496 -24.364 -6.412 1.00 53.93 ? 39 GLU B OE2 1 ATOM 549 N N . LEU B 2 26 ? -9.094 -25.718 -1.324 1.00 35.55 ? 40 LEU B N 1 ATOM 550 C CA . LEU B 2 26 ? -9.749 -25.716 -0.028 1.00 34.01 ? 40 LEU B CA 1 ATOM 551 C C . LEU B 2 26 ? -11.183 -25.366 -0.300 1.00 32.33 ? 40 LEU B C 1 ATOM 552 O O . LEU B 2 26 ? -11.497 -24.229 -0.637 1.00 30.71 ? 40 LEU B O 1 ATOM 553 C CB . LEU B 2 26 ? -9.137 -24.674 0.899 1.00 36.44 ? 40 LEU B CB 1 ATOM 554 C CG . LEU B 2 26 ? -9.952 -24.330 2.152 1.00 37.30 ? 40 LEU B CG 1 ATOM 555 C CD1 . LEU B 2 26 ? -10.745 -25.534 2.629 1.00 39.47 ? 40 LEU B CD1 1 ATOM 556 C CD2 . LEU B 2 26 ? -9.004 -23.838 3.244 1.00 39.26 ? 40 LEU B CD2 1 ATOM 557 N N . LEU B 2 27 ? -12.049 -26.356 -0.147 1.00 31.74 ? 41 LEU B N 1 ATOM 558 C CA . LEU B 2 27 ? -13.466 -26.181 -0.416 1.00 32.84 ? 41 LEU B CA 1 ATOM 559 C C . LEU B 2 27 ? -14.273 -25.633 0.754 1.00 31.79 ? 41 LEU B C 1 ATOM 560 O O . LEU B 2 27 ? -14.762 -24.509 0.713 1.00 35.45 ? 41 LEU B O 1 ATOM 561 C CB . LEU B 2 27 ? -14.079 -27.514 -0.868 1.00 33.22 ? 41 LEU B CB 1 ATOM 562 C CG . LEU B 2 27 ? -13.385 -28.295 -1.993 1.00 34.48 ? 41 LEU B CG 1 ATOM 563 C CD1 . LEU B 2 27 ? -14.055 -29.650 -2.171 1.00 35.18 ? 41 LEU B CD1 1 ATOM 564 C CD2 . LEU B 2 27 ? -13.433 -27.499 -3.280 1.00 33.60 ? 41 LEU B CD2 1 ATOM 565 N N . CYS B 2 28 ? -14.416 -26.427 1.800 1.00 29.04 ? 42 CYS B N 1 ATOM 566 C CA . CYS B 2 28 ? -15.202 -26.002 2.937 1.00 26.87 ? 42 CYS B CA 1 ATOM 567 C C . CYS B 2 28 ? -14.576 -26.406 4.240 1.00 27.11 ? 42 CYS B C 1 ATOM 568 O O . CYS B 2 28 ? -13.456 -26.912 4.287 1.00 28.25 ? 42 CYS B O 1 ATOM 569 C CB . CYS B 2 28 ? -16.563 -26.654 2.886 1.00 25.12 ? 42 CYS B CB 1 ATOM 570 S SG . CYS B 2 28 ? -17.618 -26.168 1.517 0.50 22.87 ? 42 CYS B SG 1 ATOM 571 N N . GLY B 2 29 ? -15.344 -26.197 5.302 1.00 26.35 ? 43 GLY B N 1 ATOM 572 C CA . GLY B 2 29 ? -14.903 -26.574 6.625 1.00 25.56 ? 43 GLY B CA 1 ATOM 573 C C . GLY B 2 29 ? -15.659 -27.818 7.036 1.00 24.85 ? 43 GLY B C 1 ATOM 574 O O . GLY B 2 29 ? -16.617 -28.217 6.376 1.00 26.09 ? 43 GLY B O 1 ATOM 575 N N . ALA B 2 30 ? -15.237 -28.443 8.122 1.00 22.17 ? 44 ALA B N 1 ATOM 576 C CA . ALA B 2 30 ? -15.913 -29.633 8.578 1.00 20.32 ? 44 ALA B CA 1 ATOM 577 C C . ALA B 2 30 ? -15.592 -29.841 10.025 1.00 19.91 ? 44 ALA B C 1 ATOM 578 O O . ALA B 2 30 ? -14.738 -29.154 10.582 1.00 21.35 ? 44 ALA B O 1 ATOM 579 C CB . ALA B 2 30 ? -15.468 -30.820 7.779 1.00 18.97 ? 44 ALA B CB 1 ATOM 580 N N . SER B 2 31 ? -16.288 -30.788 10.633 1.00 18.56 ? 45 SER B N 1 ATOM 581 C CA . SER B 2 31 ? -16.067 -31.093 12.028 1.00 18.12 ? 45 SER B CA 1 ATOM 582 C C . SER B 2 31 ? -15.732 -32.554 12.191 1.00 18.95 ? 45 SER B C 1 ATOM 583 O O . SER B 2 31 ? -15.853 -33.353 11.260 1.00 19.23 ? 45 SER B O 1 ATOM 584 C CB . SER B 2 31 ? -17.302 -30.751 12.867 1.00 17.50 ? 45 SER B CB 1 ATOM 585 O OG . SER B 2 31 ? -18.435 -31.495 12.459 1.00 13.98 ? 45 SER B OG 1 ATOM 586 N N . LEU B 2 32 ? -15.298 -32.883 13.395 1.00 20.29 ? 46 LEU B N 1 ATOM 587 C CA . LEU B 2 32 ? -14.933 -34.232 13.759 1.00 21.08 ? 46 LEU B CA 1 ATOM 588 C C . LEU B 2 32 ? -15.842 -34.610 14.939 1.00 22.42 ? 46 LEU B C 1 ATOM 589 O O . LEU B 2 32 ? -15.670 -34.101 16.045 1.00 25.55 ? 46 LEU B O 1 ATOM 590 C CB . LEU B 2 32 ? -13.463 -34.252 14.181 1.00 19.53 ? 46 LEU B CB 1 ATOM 591 C CG . LEU B 2 32 ? -12.779 -35.614 14.189 1.00 19.97 ? 46 LEU B CG 1 ATOM 592 C CD1 . LEU B 2 32 ? -12.745 -36.137 12.781 1.00 20.80 ? 46 LEU B CD1 1 ATOM 593 C CD2 . LEU B 2 32 ? -11.365 -35.505 14.730 1.00 21.76 ? 46 LEU B CD2 1 ATOM 594 N N . ILE B 2 33 ? -16.827 -35.470 14.704 1.00 20.76 ? 47 ILE B N 1 ATOM 595 C CA . ILE B 2 33 ? -17.720 -35.887 15.776 1.00 19.08 ? 47 ILE B CA 1 ATOM 596 C C . ILE B 2 33 ? -17.186 -37.154 16.384 1.00 19.08 ? 47 ILE B C 1 ATOM 597 O O . ILE B 2 33 ? -17.572 -37.538 17.477 1.00 16.01 ? 47 ILE B O 1 ATOM 598 C CB . ILE B 2 33 ? -19.119 -36.199 15.269 1.00 18.95 ? 47 ILE B CB 1 ATOM 599 C CG1 . ILE B 2 33 ? -19.071 -37.340 14.254 1.00 15.80 ? 47 ILE B CG1 1 ATOM 600 C CG2 . ILE B 2 33 ? -19.711 -34.973 14.640 1.00 23.67 ? 47 ILE B CG2 1 ATOM 601 C CD1 . ILE B 2 33 ? -18.933 -36.891 12.826 1.00 12.86 ? 47 ILE B CD1 1 ATOM 602 N N . SER B 2 34 ? -16.298 -37.807 15.645 1.00 22.52 ? 48 SER B N 1 ATOM 603 C CA . SER B 2 34 ? -15.688 -39.055 16.077 1.00 27.31 ? 48 SER B CA 1 ATOM 604 C C . SER B 2 34 ? -14.381 -39.250 15.333 1.00 26.92 ? 48 SER B C 1 ATOM 605 O O . SER B 2 34 ? -13.984 -38.411 14.525 1.00 24.75 ? 48 SER B O 1 ATOM 606 C CB . SER B 2 34 ? -16.605 -40.233 15.750 1.00 31.90 ? 48 SER B CB 1 ATOM 607 O OG . SER B 2 34 ? -16.573 -40.519 14.357 1.00 36.43 ? 48 SER B OG 1 ATOM 608 N N . ASP B 2 35 ? -13.717 -40.369 15.594 1.00 26.70 ? 49 ASP B N 1 ATOM 609 C CA . ASP B 2 35 ? -12.471 -40.640 14.911 1.00 28.90 ? 49 ASP B CA 1 ATOM 610 C C . ASP B 2 35 ? -12.766 -41.300 13.574 1.00 28.92 ? 49 ASP B C 1 ATOM 611 O O . ASP B 2 35 ? -11.864 -41.496 12.770 1.00 32.75 ? 49 ASP B O 1 ATOM 612 C CB . ASP B 2 35 ? -11.569 -41.541 15.756 1.00 33.27 ? 49 ASP B CB 1 ATOM 613 C CG . ASP B 2 35 ? -12.126 -42.930 15.911 1.00 38.57 ? 49 ASP B CG 1 ATOM 614 O OD1 . ASP B 2 35 ? -13.331 -43.026 16.230 1.00 38.78 ? 49 ASP B OD1 1 ATOM 615 O OD2 . ASP B 2 35 ? -11.365 -43.912 15.721 1.00 42.00 ? 49 ASP B OD2 1 ATOM 616 N N . ARG B 2 36 ? -14.021 -41.644 13.322 1.00 26.19 ? 50 ARG B N 1 ATOM 617 C CA . ARG B 2 36 ? -14.346 -42.265 12.052 1.00 25.42 ? 50 ARG B CA 1 ATOM 618 C C . ARG B 2 36 ? -15.275 -41.409 11.230 1.00 24.86 ? 50 ARG B C 1 ATOM 619 O O . ARG B 2 36 ? -15.392 -41.623 10.028 1.00 27.84 ? 50 ARG B O 1 ATOM 620 C CB . ARG B 2 36 ? -14.994 -43.634 12.249 1.00 29.38 ? 50 ARG B CB 1 ATOM 621 C CG . ARG B 2 36 ? -14.054 -44.736 12.740 1.00 35.39 ? 50 ARG B CG 1 ATOM 622 C CD . ARG B 2 36 ? -14.272 -46.041 11.959 1.00 40.04 ? 50 ARG B CD 1 ATOM 623 N NE . ARG B 2 36 ? -13.644 -46.007 10.630 1.00 45.77 ? 50 ARG B NE 1 ATOM 624 C CZ . ARG B 2 36 ? -13.885 -46.879 9.645 1.00 46.62 ? 50 ARG B CZ 1 ATOM 625 N NH1 . ARG B 2 36 ? -14.751 -47.870 9.815 1.00 46.49 ? 50 ARG B NH1 1 ATOM 626 N NH2 . ARG B 2 36 ? -13.246 -46.768 8.487 1.00 47.57 ? 50 ARG B NH2 1 ATOM 627 N N . TRP B 2 37 ? -15.921 -40.431 11.866 1.00 22.26 ? 51 TRP B N 1 ATOM 628 C CA . TRP B 2 37 ? -16.876 -39.571 11.163 1.00 20.52 ? 51 TRP B CA 1 ATOM 629 C C . TRP B 2 37 ? -16.672 -38.062 11.144 1.00 20.28 ? 51 TRP B C 1 ATOM 630 O O . TRP B 2 37 ? -16.406 -37.447 12.172 1.00 23.58 ? 51 TRP B O 1 ATOM 631 C CB . TRP B 2 37 ? -18.270 -39.823 11.694 1.00 17.96 ? 51 TRP B CB 1 ATOM 632 C CG . TRP B 2 37 ? -18.757 -41.173 11.427 1.00 16.04 ? 51 TRP B CG 1 ATOM 633 C CD1 . TRP B 2 37 ? -18.712 -42.235 12.267 1.00 16.66 ? 51 TRP B CD1 1 ATOM 634 C CD2 . TRP B 2 37 ? -19.433 -41.615 10.253 1.00 14.86 ? 51 TRP B CD2 1 ATOM 635 N NE1 . TRP B 2 37 ? -19.331 -43.310 11.698 1.00 17.90 ? 51 TRP B NE1 1 ATOM 636 C CE2 . TRP B 2 37 ? -19.784 -42.952 10.454 1.00 16.01 ? 51 TRP B CE2 1 ATOM 637 C CE3 . TRP B 2 37 ? -19.781 -41.001 9.050 1.00 12.88 ? 51 TRP B CE3 1 ATOM 638 C CZ2 . TRP B 2 37 ? -20.467 -43.694 9.499 1.00 16.88 ? 51 TRP B CZ2 1 ATOM 639 C CZ3 . TRP B 2 37 ? -20.455 -41.734 8.107 1.00 11.86 ? 51 TRP B CZ3 1 ATOM 640 C CH2 . TRP B 2 37 ? -20.794 -43.063 8.334 1.00 13.82 ? 51 TRP B CH2 1 ATOM 641 N N . VAL B 2 38 ? -16.827 -37.469 9.962 1.00 16.29 ? 52 VAL B N 1 ATOM 642 C CA . VAL B 2 38 ? -16.702 -36.032 9.807 1.00 14.21 ? 52 VAL B CA 1 ATOM 643 C C . VAL B 2 38 ? -18.012 -35.525 9.284 1.00 15.18 ? 52 VAL B C 1 ATOM 644 O O . VAL B 2 38 ? -18.580 -36.088 8.354 1.00 17.09 ? 52 VAL B O 1 ATOM 645 C CB . VAL B 2 38 ? -15.651 -35.621 8.793 1.00 13.05 ? 52 VAL B CB 1 ATOM 646 C CG1 . VAL B 2 38 ? -15.708 -34.121 8.618 1.00 12.64 ? 52 VAL B CG1 1 ATOM 647 C CG2 . VAL B 2 38 ? -14.274 -36.041 9.250 1.00 13.34 ? 52 VAL B CG2 1 ATOM 648 N N . LEU B 2 39 ? -18.461 -34.433 9.877 1.00 15.80 ? 53 LEU B N 1 ATOM 649 C CA . LEU B 2 39 ? -19.721 -33.797 9.543 1.00 14.89 ? 53 LEU B CA 1 ATOM 650 C C . LEU B 2 39 ? -19.424 -32.508 8.823 1.00 15.17 ? 53 LEU B C 1 ATOM 651 O O . LEU B 2 39 ? -18.481 -31.812 9.185 1.00 16.70 ? 53 LEU B O 1 ATOM 652 C CB . LEU B 2 39 ? -20.450 -33.477 10.830 1.00 14.53 ? 53 LEU B CB 1 ATOM 653 C CG . LEU B 2 39 ? -21.895 -33.051 10.780 1.00 16.08 ? 53 LEU B CG 1 ATOM 654 C CD1 . LEU B 2 39 ? -22.719 -34.177 10.192 1.00 15.80 ? 53 LEU B CD1 1 ATOM 655 C CD2 . LEU B 2 39 ? -22.346 -32.729 12.197 1.00 17.80 ? 53 LEU B CD2 1 ATOM 656 N N . THR B 2 40 ? -20.220 -32.190 7.809 1.00 15.57 ? 54 THR B N 1 ATOM 657 C CA . THR B 2 40 ? -20.038 -30.955 7.057 1.00 15.80 ? 54 THR B CA 1 ATOM 658 C C . THR B 2 40 ? -21.280 -30.591 6.287 1.00 16.02 ? 54 THR B C 1 ATOM 659 O O . THR B 2 40 ? -22.213 -31.368 6.203 1.00 16.86 ? 54 THR B O 1 ATOM 660 C CB . THR B 2 40 ? -18.907 -31.040 6.032 1.00 16.11 ? 54 THR B CB 1 ATOM 661 O OG1 . THR B 2 40 ? -18.759 -29.761 5.406 1.00 15.33 ? 54 THR B OG1 1 ATOM 662 C CG2 . THR B 2 40 ? -19.223 -32.073 4.962 1.00 16.68 ? 54 THR B CG2 1 ATOM 663 N N . ALA B 2 41 ? -21.275 -29.407 5.701 1.00 18.45 ? 55 ALA B N 1 ATOM 664 C CA . ALA B 2 41 ? -22.418 -28.952 4.933 1.00 24.37 ? 55 ALA B CA 1 ATOM 665 C C . ALA B 2 41 ? -22.602 -29.738 3.641 1.00 27.38 ? 55 ALA B C 1 ATOM 666 O O . ALA B 2 41 ? -21.654 -29.943 2.880 1.00 29.25 ? 55 ALA B O 1 ATOM 667 C CB . ALA B 2 41 ? -22.271 -27.481 4.622 1.00 26.33 ? 55 ALA B CB 1 ATOM 668 N N . ALA B 2 42 ? -23.837 -30.161 3.391 1.00 29.07 ? 56 ALA B N 1 ATOM 669 C CA . ALA B 2 42 ? -24.159 -30.919 2.191 1.00 31.14 ? 56 ALA B CA 1 ATOM 670 C C . ALA B 2 42 ? -23.872 -30.175 0.883 1.00 30.72 ? 56 ALA B C 1 ATOM 671 O O . ALA B 2 42 ? -23.313 -30.755 -0.044 1.00 30.32 ? 56 ALA B O 1 ATOM 672 C CB . ALA B 2 42 ? -25.612 -31.341 2.230 1.00 32.51 ? 56 ALA B CB 1 ATOM 673 N N . HIS B 2 43 ? -24.238 -28.901 0.793 1.00 29.05 ? 57 HIS B N 1 ATOM 674 C CA . HIS B 2 43 ? -23.994 -28.189 -0.447 1.00 29.27 ? 57 HIS B CA 1 ATOM 675 C C . HIS B 2 43 ? -22.507 -28.113 -0.756 1.00 31.71 ? 57 HIS B C 1 ATOM 676 O O . HIS B 2 43 ? -22.107 -27.746 -1.866 1.00 33.77 ? 57 HIS B O 1 ATOM 677 C CB . HIS B 2 43 ? -24.587 -26.789 -0.410 1.00 24.69 ? 57 HIS B CB 1 ATOM 678 C CG . HIS B 2 43 ? -23.702 -25.775 0.236 1.00 19.63 ? 57 HIS B CG 1 ATOM 679 N ND1 . HIS B 2 43 ? -23.765 -25.482 1.566 1.00 19.06 ? 57 HIS B ND1 1 ATOM 680 C CD2 . HIS B 2 43 ? -22.743 -24.973 -0.298 1.00 19.32 ? 57 HIS B CD2 1 ATOM 681 C CE1 . HIS B 2 43 ? -22.886 -24.531 1.846 1.00 19.87 ? 57 HIS B CE1 1 ATOM 682 N NE2 . HIS B 2 43 ? -22.257 -24.207 0.739 1.00 19.10 ? 57 HIS B NE2 1 ATOM 683 N N . CYS B 2 44 ? -21.682 -28.450 0.228 1.00 32.16 ? 58 CYS B N 1 ATOM 684 C CA . CYS B 2 44 ? -20.241 -28.448 0.003 1.00 33.58 ? 58 CYS B CA 1 ATOM 685 C C . CYS B 2 44 ? -19.905 -29.645 -0.867 1.00 34.42 ? 58 CYS B C 1 ATOM 686 O O . CYS B 2 44 ? -18.908 -29.662 -1.581 1.00 36.92 ? 58 CYS B O 1 ATOM 687 C CB . CYS B 2 44 ? -19.482 -28.536 1.328 1.00 31.85 ? 58 CYS B CB 1 ATOM 688 S SG . CYS B 2 44 ? -19.380 -26.927 2.155 1.00 32.69 ? 58 CYS B SG 1 ATOM 689 N N . ILE B 2 45 ? -20.774 -30.641 -0.817 1.00 33.91 ? 59 ILE B N 1 ATOM 690 C CA . ILE B 2 45 ? -20.578 -31.850 -1.576 1.00 33.97 ? 59 ILE B CA 1 ATOM 691 C C . ILE B 2 45 ? -21.365 -31.895 -2.870 1.00 36.01 ? 59 ILE B C 1 ATOM 692 O O . ILE B 2 45 ? -20.878 -32.393 -3.881 1.00 37.81 ? 59 ILE B O 1 ATOM 693 C CB . ILE B 2 45 ? -20.966 -33.048 -0.722 1.00 30.89 ? 59 ILE B CB 1 ATOM 694 C CG1 . ILE B 2 45 ? -19.988 -33.153 0.430 1.00 31.26 ? 59 ILE B CG1 1 ATOM 695 C CG2 . ILE B 2 45 ? -20.985 -34.309 -1.543 1.00 31.80 ? 59 ILE B CG2 1 ATOM 696 C CD1 . ILE B 2 45 ? -19.905 -34.514 1.023 1.00 35.52 ? 59 ILE B CD1 1 ATOM 697 N N . LEU B 2 46 ? -22.573 -31.347 -2.837 1.00 37.73 ? 60 LEU B N 1 ATOM 698 C CA . LEU B 2 46 ? -23.479 -31.386 -3.982 1.00 38.52 ? 60 LEU B CA 1 ATOM 699 C C . LEU B 2 46 ? -24.212 -30.067 -4.266 1.00 38.22 ? 60 LEU B C 1 ATOM 700 O O . LEU B 2 46 ? -24.994 -29.585 -3.446 1.00 39.12 ? 60 LEU B O 1 ATOM 701 C CB . LEU B 2 46 ? -24.491 -32.510 -3.725 1.00 37.86 ? 60 LEU B CB 1 ATOM 702 C CG . LEU B 2 46 ? -25.659 -32.754 -4.664 1.00 37.27 ? 60 LEU B CG 1 ATOM 703 C CD1 . LEU B 2 46 ? -25.114 -33.091 -6.034 1.00 38.84 ? 60 LEU B CD1 1 ATOM 704 C CD2 . LEU B 2 46 ? -26.523 -33.883 -4.120 1.00 34.21 ? 60 LEU B CD2 1 ATOM 705 N N . TYR B 2 47 A -23.966 -29.493 -5.435 1.00 36.97 ? 60 TYR B N 1 ATOM 706 C CA . TYR B 2 47 A -24.610 -28.246 -5.800 1.00 37.55 ? 60 TYR B CA 1 ATOM 707 C C . TYR B 2 47 A -24.640 -28.099 -7.316 1.00 38.51 ? 60 TYR B C 1 ATOM 708 O O . TYR B 2 47 A -23.837 -27.369 -7.909 1.00 39.76 ? 60 TYR B O 1 ATOM 709 C CB . TYR B 2 47 A -23.868 -27.061 -5.181 1.00 36.05 ? 60 TYR B CB 1 ATOM 710 C CG . TYR B 2 47 A -24.699 -25.800 -5.145 1.00 35.93 ? 60 TYR B CG 1 ATOM 711 C CD1 . TYR B 2 47 A -25.828 -25.719 -4.335 1.00 36.33 ? 60 TYR B CD1 1 ATOM 712 C CD2 . TYR B 2 47 A -24.381 -24.699 -5.945 1.00 34.88 ? 60 TYR B CD2 1 ATOM 713 C CE1 . TYR B 2 47 A -26.626 -24.578 -4.322 1.00 36.09 ? 60 TYR B CE1 1 ATOM 714 C CE2 . TYR B 2 47 A -25.176 -23.547 -5.938 1.00 33.12 ? 60 TYR B CE2 1 ATOM 715 C CZ . TYR B 2 47 A -26.295 -23.501 -5.124 1.00 34.55 ? 60 TYR B CZ 1 ATOM 716 O OH . TYR B 2 47 A -27.101 -22.393 -5.113 1.00 34.51 ? 60 TYR B OH 1 ATOM 717 N N . PRO B 2 48 B -25.585 -28.803 -7.965 1.00 37.60 ? 60 PRO B N 1 ATOM 718 C CA . PRO B 2 48 B -25.776 -28.810 -9.415 1.00 38.95 ? 60 PRO B CA 1 ATOM 719 C C . PRO B 2 48 B -25.618 -27.439 -10.031 1.00 40.15 ? 60 PRO B C 1 ATOM 720 O O . PRO B 2 48 B -24.858 -27.276 -10.977 1.00 40.06 ? 60 PRO B O 1 ATOM 721 C CB . PRO B 2 48 B -27.199 -29.327 -9.563 1.00 37.71 ? 60 PRO B CB 1 ATOM 722 C CG . PRO B 2 48 B -27.320 -30.259 -8.422 1.00 38.97 ? 60 PRO B CG 1 ATOM 723 C CD . PRO B 2 48 B -26.666 -29.523 -7.285 1.00 37.42 ? 60 PRO B CD 1 ATOM 724 N N . PRO B 2 49 C -26.323 -26.431 -9.502 1.00 42.02 ? 60 PRO B N 1 ATOM 725 C CA . PRO B 2 49 C -26.223 -25.075 -10.032 1.00 44.51 ? 60 PRO B CA 1 ATOM 726 C C . PRO B 2 49 C -24.790 -24.684 -10.346 1.00 45.43 ? 60 PRO B C 1 ATOM 727 O O . PRO B 2 49 C -24.563 -23.813 -11.169 1.00 45.44 ? 60 PRO B O 1 ATOM 728 C CB . PRO B 2 49 C -26.831 -24.226 -8.930 1.00 45.09 ? 60 PRO B CB 1 ATOM 729 C CG . PRO B 2 49 C -27.889 -25.112 -8.399 1.00 45.09 ? 60 PRO B CG 1 ATOM 730 C CD . PRO B 2 49 C -27.172 -26.436 -8.294 1.00 43.55 ? 60 PRO B CD 1 ATOM 731 N N . TRP B 2 50 D -23.824 -25.318 -9.688 1.00 47.08 ? 60 TRP B N 1 ATOM 732 C CA . TRP B 2 50 D -22.421 -25.016 -9.952 1.00 50.67 ? 60 TRP B CA 1 ATOM 733 C C . TRP B 2 50 D -21.669 -26.251 -10.394 1.00 50.44 ? 60 TRP B C 1 ATOM 734 O O . TRP B 2 50 D -20.486 -26.384 -10.099 1.00 49.77 ? 60 TRP B O 1 ATOM 735 C CB . TRP B 2 50 D -21.712 -24.474 -8.714 1.00 54.99 ? 60 TRP B CB 1 ATOM 736 C CG . TRP B 2 50 D -22.167 -23.148 -8.221 1.00 60.40 ? 60 TRP B CG 1 ATOM 737 C CD1 . TRP B 2 50 D -22.927 -22.225 -8.885 1.00 62.11 ? 60 TRP B CD1 1 ATOM 738 C CD2 . TRP B 2 50 D -21.847 -22.570 -6.957 1.00 62.34 ? 60 TRP B CD2 1 ATOM 739 N NE1 . TRP B 2 50 D -23.097 -21.105 -8.107 1.00 63.97 ? 60 TRP B NE1 1 ATOM 740 C CE2 . TRP B 2 50 D -22.441 -21.292 -6.919 1.00 64.17 ? 60 TRP B CE2 1 ATOM 741 C CE3 . TRP B 2 50 D -21.107 -23.011 -5.852 1.00 62.53 ? 60 TRP B CE3 1 ATOM 742 C CZ2 . TRP B 2 50 D -22.322 -20.448 -5.813 1.00 66.72 ? 60 TRP B CZ2 1 ATOM 743 C CZ3 . TRP B 2 50 D -20.989 -22.176 -4.757 1.00 64.80 ? 60 TRP B CZ3 1 ATOM 744 C CH2 . TRP B 2 50 D -21.592 -20.906 -4.744 1.00 67.18 ? 60 TRP B CH2 1 ATOM 745 N N . ASP B 2 51 E -22.339 -27.151 -11.100 1.00 51.19 ? 60 ASP B N 1 ATOM 746 C CA . ASP B 2 51 E -21.683 -28.375 -11.542 1.00 53.21 ? 60 ASP B CA 1 ATOM 747 C C . ASP B 2 51 E -20.849 -28.859 -10.386 1.00 53.42 ? 60 ASP B C 1 ATOM 748 O O . ASP B 2 51 E -19.644 -29.039 -10.520 1.00 53.76 ? 60 ASP B O 1 ATOM 749 C CB . ASP B 2 51 E -20.748 -28.115 -12.722 1.00 54.96 ? 60 ASP B CB 1 ATOM 750 C CG . ASP B 2 51 E -21.488 -27.766 -13.982 1.00 57.71 ? 60 ASP B CG 1 ATOM 751 O OD1 . ASP B 2 51 E -22.341 -28.579 -14.409 1.00 58.77 ? 60 ASP B OD1 1 ATOM 752 O OD2 . ASP B 2 51 E -21.211 -26.679 -14.542 1.00 59.94 ? 60 ASP B OD2 1 ATOM 753 N N . LYS B 2 52 F -21.476 -29.035 -9.235 1.00 53.85 ? 60 LYS B N 1 ATOM 754 C CA . LYS B 2 52 F -20.736 -29.493 -8.080 1.00 54.80 ? 60 LYS B CA 1 ATOM 755 C C . LYS B 2 52 F -21.276 -30.815 -7.604 1.00 55.38 ? 60 LYS B C 1 ATOM 756 O O . LYS B 2 52 F -22.324 -30.875 -6.961 1.00 55.11 ? 60 LYS B O 1 ATOM 757 C CB . LYS B 2 52 F -20.824 -28.471 -6.950 1.00 56.39 ? 60 LYS B CB 1 ATOM 758 C CG . LYS B 2 52 F -19.880 -28.751 -5.783 1.00 56.98 ? 60 LYS B CG 1 ATOM 759 C CD . LYS B 2 52 F -19.913 -27.610 -4.763 1.00 55.96 ? 60 LYS B CD 1 ATOM 760 C CE . LYS B 2 52 F -18.544 -27.380 -4.129 1.00 53.79 ? 60 LYS B CE 1 ATOM 761 N NZ . LYS B 2 52 F -18.510 -26.160 -3.281 1.00 52.41 ? 60 LYS B NZ 1 ATOM 762 N N . ASN B 2 53 G -20.566 -31.882 -7.936 1.00 55.61 ? 60 ASN B N 1 ATOM 763 C CA . ASN B 2 53 G -20.983 -33.199 -7.502 1.00 57.12 ? 60 ASN B CA 1 ATOM 764 C C . ASN B 2 53 G -19.727 -34.037 -7.288 1.00 54.54 ? 60 ASN B C 1 ATOM 765 O O . ASN B 2 53 G -19.226 -34.679 -8.216 1.00 55.76 ? 60 ASN B O 1 ATOM 766 C CB . ASN B 2 53 G -21.937 -33.845 -8.510 1.00 62.03 ? 60 ASN B CB 1 ATOM 767 C CG . ASN B 2 53 G -22.397 -35.236 -8.007 1.00 68.90 ? 60 ASN B CG 1 ATOM 768 O OD1 . ASN B 2 53 G -22.368 -35.743 -6.863 1.00 68.43 ? 60 ASN B OD1 1 ATOM 769 N ND2 . ASN B 2 53 G -22.889 -35.897 -9.041 1.00 76.30 ? 60 ASN B ND2 1 ATOM 770 N N . PHE B 2 54 H -19.219 -33.994 -6.057 1.00 49.88 ? 60 PHE B N 1 ATOM 771 C CA . PHE B 2 54 H -18.023 -34.724 -5.663 1.00 44.60 ? 60 PHE B CA 1 ATOM 772 C C . PHE B 2 54 H -18.373 -36.116 -5.183 1.00 42.74 ? 60 PHE B C 1 ATOM 773 O O . PHE B 2 54 H -19.529 -36.392 -4.858 1.00 41.45 ? 60 PHE B O 1 ATOM 774 C CB . PHE B 2 54 H -17.289 -33.975 -4.550 1.00 41.70 ? 60 PHE B CB 1 ATOM 775 C CG . PHE B 2 54 H -16.605 -32.728 -5.012 1.00 40.24 ? 60 PHE B CG 1 ATOM 776 C CD1 . PHE B 2 54 H -15.518 -32.798 -5.876 1.00 40.03 ? 60 PHE B CD1 1 ATOM 777 C CD2 . PHE B 2 54 H -17.047 -31.484 -4.600 1.00 39.21 ? 60 PHE B CD2 1 ATOM 778 C CE1 . PHE B 2 54 H -14.878 -31.649 -6.327 1.00 38.84 ? 60 PHE B CE1 1 ATOM 779 C CE2 . PHE B 2 54 H -16.416 -30.329 -5.045 1.00 40.29 ? 60 PHE B CE2 1 ATOM 780 C CZ . PHE B 2 54 H -15.327 -30.414 -5.913 1.00 40.05 ? 60 PHE B CZ 1 ATOM 781 N N . THR B 2 55 I -17.365 -36.985 -5.147 1.00 41.71 ? 60 THR B N 1 ATOM 782 C CA . THR B 2 55 I -17.526 -38.367 -4.704 1.00 41.37 ? 60 THR B CA 1 ATOM 783 C C . THR B 2 55 I -16.340 -38.715 -3.838 1.00 40.69 ? 60 THR B C 1 ATOM 784 O O . THR B 2 55 I -15.321 -38.040 -3.885 1.00 41.06 ? 60 THR B O 1 ATOM 785 C CB . THR B 2 55 I -17.488 -39.342 -5.854 1.00 41.76 ? 60 THR B CB 1 ATOM 786 O OG1 . THR B 2 55 I -16.119 -39.620 -6.169 1.00 44.23 ? 60 THR B OG1 1 ATOM 787 C CG2 . THR B 2 55 I -18.183 -38.755 -7.078 1.00 43.42 ? 60 THR B CG2 1 ATOM 788 N N . GLU B 2 56 ? -16.466 -39.792 -3.079 1.00 41.12 ? 61 GLU B N 1 ATOM 789 C CA . GLU B 2 56 ? -15.406 -40.227 -2.186 1.00 44.45 ? 61 GLU B CA 1 ATOM 790 C C . GLU B 2 56 ? -13.981 -39.951 -2.655 1.00 45.40 ? 61 GLU B C 1 ATOM 791 O O . GLU B 2 56 ? -13.134 -39.557 -1.855 1.00 48.33 ? 61 GLU B O 1 ATOM 792 C CB . GLU B 2 56 ? -15.543 -41.720 -1.888 1.00 46.13 ? 61 GLU B CB 1 ATOM 793 C CG . GLU B 2 56 ? -16.720 -42.082 -1.000 1.00 47.94 ? 61 GLU B CG 1 ATOM 794 C CD . GLU B 2 56 ? -18.025 -42.126 -1.753 1.00 49.37 ? 61 GLU B CD 1 ATOM 795 O OE1 . GLU B 2 56 ? -18.076 -42.829 -2.782 1.00 50.29 ? 61 GLU B OE1 1 ATOM 796 O OE2 . GLU B 2 56 ? -18.995 -41.469 -1.319 1.00 50.11 ? 61 GLU B OE2 1 ATOM 797 N N . ASN B 2 57 ? -13.698 -40.147 -3.936 1.00 43.76 ? 62 ASN B N 1 ATOM 798 C CA . ASN B 2 57 ? -12.339 -39.921 -4.416 1.00 42.57 ? 62 ASN B CA 1 ATOM 799 C C . ASN B 2 57 ? -11.942 -38.502 -4.773 1.00 39.49 ? 62 ASN B C 1 ATOM 800 O O . ASN B 2 57 ? -10.789 -38.120 -4.613 1.00 39.62 ? 62 ASN B O 1 ATOM 801 C CB . ASN B 2 57 ? -12.048 -40.826 -5.604 1.00 46.65 ? 62 ASN B CB 1 ATOM 802 C CG . ASN B 2 57 ? -11.318 -42.070 -5.196 1.00 49.90 ? 62 ASN B CG 1 ATOM 803 O OD1 . ASN B 2 57 ? -11.755 -42.782 -4.292 1.00 53.11 ? 62 ASN B OD1 1 ATOM 804 N ND2 . ASN B 2 57 ? -10.193 -42.342 -5.849 1.00 50.38 ? 62 ASN B ND2 1 ATOM 805 N N . ASP B 2 58 ? -12.889 -37.721 -5.264 1.00 36.47 ? 63 ASP B N 1 ATOM 806 C CA . ASP B 2 58 ? -12.594 -36.358 -5.651 1.00 33.79 ? 63 ASP B CA 1 ATOM 807 C C . ASP B 2 58 ? -11.891 -35.571 -4.537 1.00 32.07 ? 63 ASP B C 1 ATOM 808 O O . ASP B 2 58 ? -11.140 -34.632 -4.813 1.00 32.49 ? 63 ASP B O 1 ATOM 809 C CB . ASP B 2 58 ? -13.888 -35.640 -6.059 1.00 33.90 ? 63 ASP B CB 1 ATOM 810 C CG . ASP B 2 58 ? -14.582 -36.290 -7.253 1.00 32.88 ? 63 ASP B CG 1 ATOM 811 O OD1 . ASP B 2 58 ? -13.941 -36.456 -8.309 1.00 33.48 ? 63 ASP B OD1 1 ATOM 812 O OD2 . ASP B 2 58 ? -15.779 -36.623 -7.141 1.00 31.79 ? 63 ASP B OD2 1 ATOM 813 N N . LEU B 2 59 ? -12.096 -35.958 -3.282 1.00 27.36 ? 64 LEU B N 1 ATOM 814 C CA . LEU B 2 59 ? -11.482 -35.198 -2.204 1.00 24.97 ? 64 LEU B CA 1 ATOM 815 C C . LEU B 2 59 ? -11.185 -35.952 -0.915 1.00 23.63 ? 64 LEU B C 1 ATOM 816 O O . LEU B 2 59 ? -11.503 -37.129 -0.787 1.00 25.31 ? 64 LEU B O 1 ATOM 817 C CB . LEU B 2 59 ? -12.375 -33.998 -1.907 1.00 23.67 ? 64 LEU B CB 1 ATOM 818 C CG . LEU B 2 59 ? -13.860 -34.379 -1.891 1.00 22.67 ? 64 LEU B CG 1 ATOM 819 C CD1 . LEU B 2 59 ? -14.090 -35.298 -0.731 1.00 22.09 ? 64 LEU B CD1 1 ATOM 820 C CD2 . LEU B 2 59 ? -14.764 -33.156 -1.776 1.00 23.87 ? 64 LEU B CD2 1 ATOM 821 N N . LEU B 2 60 ? -10.572 -35.252 0.037 1.00 21.38 ? 65 LEU B N 1 ATOM 822 C CA . LEU B 2 60 ? -10.227 -35.820 1.337 1.00 19.98 ? 65 LEU B CA 1 ATOM 823 C C . LEU B 2 60 ? -10.304 -34.759 2.427 1.00 17.72 ? 65 LEU B C 1 ATOM 824 O O . LEU B 2 60 ? -10.645 -33.611 2.172 1.00 16.84 ? 65 LEU B O 1 ATOM 825 C CB . LEU B 2 60 ? -8.809 -36.403 1.313 1.00 23.77 ? 65 LEU B CB 1 ATOM 826 C CG . LEU B 2 60 ? -7.584 -35.545 0.943 1.00 26.92 ? 65 LEU B CG 1 ATOM 827 C CD1 . LEU B 2 60 ? -7.508 -35.453 -0.545 1.00 27.32 ? 65 LEU B CD1 1 ATOM 828 C CD2 . LEU B 2 60 ? -7.625 -34.145 1.581 1.00 27.95 ? 65 LEU B CD2 1 ATOM 829 N N . VAL B 2 61 ? -9.974 -35.133 3.649 1.00 14.87 ? 66 VAL B N 1 ATOM 830 C CA . VAL B 2 61 ? -10.007 -34.150 4.699 1.00 15.58 ? 66 VAL B CA 1 ATOM 831 C C . VAL B 2 61 ? -8.681 -34.056 5.400 1.00 16.67 ? 66 VAL B C 1 ATOM 832 O O . VAL B 2 61 ? -7.955 -35.040 5.518 1.00 16.50 ? 66 VAL B O 1 ATOM 833 C CB . VAL B 2 61 ? -11.058 -34.472 5.745 1.00 16.84 ? 66 VAL B CB 1 ATOM 834 C CG1 . VAL B 2 61 ? -12.426 -34.339 5.150 1.00 18.31 ? 66 VAL B CG1 1 ATOM 835 C CG2 . VAL B 2 61 ? -10.835 -35.858 6.277 1.00 17.92 ? 66 VAL B CG2 1 ATOM 836 N N . ARG B 2 62 ? -8.385 -32.851 5.863 1.00 17.21 ? 67 ARG B N 1 ATOM 837 C CA . ARG B 2 62 ? -7.174 -32.546 6.598 1.00 17.20 ? 67 ARG B CA 1 ATOM 838 C C . ARG B 2 62 ? -7.626 -32.222 8.022 1.00 17.48 ? 67 ARG B C 1 ATOM 839 O O . ARG B 2 62 ? -8.471 -31.345 8.204 1.00 18.87 ? 67 ARG B O 1 ATOM 840 C CB . ARG B 2 62 ? -6.518 -31.322 5.990 1.00 18.34 ? 67 ARG B CB 1 ATOM 841 C CG . ARG B 2 62 ? -6.080 -31.488 4.565 1.00 21.61 ? 67 ARG B CG 1 ATOM 842 C CD . ARG B 2 62 ? -4.644 -31.043 4.484 1.00 26.55 ? 67 ARG B CD 1 ATOM 843 N NE . ARG B 2 62 ? -4.392 -29.968 3.535 1.00 27.61 ? 67 ARG B NE 1 ATOM 844 C CZ . ARG B 2 62 ? -3.240 -29.309 3.481 1.00 30.12 ? 67 ARG B CZ 1 ATOM 845 N NH1 . ARG B 2 62 ? -3.061 -28.345 2.590 1.00 33.78 ? 67 ARG B NH1 1 ATOM 846 N NH2 . ARG B 2 62 ? -2.265 -29.605 4.333 1.00 29.46 ? 67 ARG B NH2 1 ATOM 847 N N . ILE B 2 63 ? -7.087 -32.909 9.027 1.00 17.10 ? 68 ILE B N 1 ATOM 848 C CA . ILE B 2 63 ? -7.500 -32.639 10.407 1.00 18.79 ? 68 ILE B CA 1 ATOM 849 C C . ILE B 2 63 ? -6.398 -32.108 11.313 1.00 19.39 ? 68 ILE B C 1 ATOM 850 O O . ILE B 2 63 ? -5.241 -32.503 11.206 1.00 20.76 ? 68 ILE B O 1 ATOM 851 C CB . ILE B 2 63 ? -8.101 -33.897 11.099 1.00 19.78 ? 68 ILE B CB 1 ATOM 852 C CG1 . ILE B 2 63 ? -9.353 -34.385 10.362 1.00 18.79 ? 68 ILE B CG1 1 ATOM 853 C CG2 . ILE B 2 63 ? -8.487 -33.560 12.530 1.00 20.44 ? 68 ILE B CG2 1 ATOM 854 C CD1 . ILE B 2 63 ? -10.050 -35.550 11.050 1.00 13.49 ? 68 ILE B CD1 1 ATOM 855 N N . GLY B 2 64 ? -6.788 -31.218 12.217 1.00 19.82 ? 69 GLY B N 1 ATOM 856 C CA . GLY B 2 64 ? -5.846 -30.633 13.149 1.00 21.06 ? 69 GLY B CA 1 ATOM 857 C C . GLY B 2 64 ? -4.935 -29.582 12.543 1.00 23.31 ? 69 GLY B C 1 ATOM 858 O O . GLY B 2 64 ? -3.770 -29.487 12.923 1.00 24.88 ? 69 GLY B O 1 ATOM 859 N N . LYS B 2 65 ? -5.442 -28.787 11.604 1.00 23.60 ? 70 LYS B N 1 ATOM 860 C CA . LYS B 2 65 ? -4.609 -27.761 10.996 1.00 24.57 ? 70 LYS B CA 1 ATOM 861 C C . LYS B 2 65 ? -4.774 -26.430 11.690 1.00 26.13 ? 70 LYS B C 1 ATOM 862 O O . LYS B 2 65 ? -5.637 -26.272 12.536 1.00 26.44 ? 70 LYS B O 1 ATOM 863 C CB . LYS B 2 65 ? -4.928 -27.616 9.513 1.00 23.77 ? 70 LYS B CB 1 ATOM 864 C CG . LYS B 2 65 ? -4.360 -28.734 8.668 1.00 23.36 ? 70 LYS B CG 1 ATOM 865 C CD . LYS B 2 65 ? -4.596 -28.510 7.184 1.00 23.59 ? 70 LYS B CD 1 ATOM 866 C CE . LYS B 2 65 ? -3.817 -27.329 6.701 1.00 26.67 ? 70 LYS B CE 1 ATOM 867 N NZ . LYS B 2 65 ? -2.417 -27.429 7.174 1.00 30.85 ? 70 LYS B NZ 1 ATOM 868 N N . HIS B 2 66 ? -3.933 -25.473 11.329 1.00 28.49 ? 71 HIS B N 1 ATOM 869 C CA . HIS B 2 66 ? -3.976 -24.144 11.923 1.00 32.85 ? 71 HIS B CA 1 ATOM 870 C C . HIS B 2 66 ? -3.738 -23.146 10.809 1.00 35.33 ? 71 HIS B C 1 ATOM 871 O O . HIS B 2 66 ? -4.424 -22.131 10.718 1.00 36.43 ? 71 HIS B O 1 ATOM 872 C CB . HIS B 2 66 ? -2.879 -24.016 12.979 1.00 32.90 ? 71 HIS B CB 1 ATOM 873 C CG . HIS B 2 66 ? -2.705 -22.631 13.528 1.00 31.91 ? 71 HIS B CG 1 ATOM 874 N ND1 . HIS B 2 66 ? -3.608 -22.056 14.396 1.00 32.88 ? 71 HIS B ND1 1 ATOM 875 C CD2 . HIS B 2 66 ? -1.700 -21.738 13.385 1.00 31.17 ? 71 HIS B CD2 1 ATOM 876 C CE1 . HIS B 2 66 ? -3.161 -20.870 14.771 1.00 32.76 ? 71 HIS B CE1 1 ATOM 877 N NE2 . HIS B 2 66 ? -2.004 -20.653 14.170 1.00 32.14 ? 71 HIS B NE2 1 ATOM 878 N N . SER B 2 67 ? -2.751 -23.448 9.967 1.00 38.08 ? 72 SER B N 1 ATOM 879 C CA . SER B 2 67 ? -2.404 -22.594 8.837 1.00 41.49 ? 72 SER B CA 1 ATOM 880 C C . SER B 2 67 ? -3.333 -22.888 7.685 1.00 38.86 ? 72 SER B C 1 ATOM 881 O O . SER B 2 67 ? -3.663 -24.038 7.435 1.00 39.29 ? 72 SER B O 1 ATOM 882 C CB . SER B 2 67 ? -0.975 -22.855 8.371 1.00 46.60 ? 72 SER B CB 1 ATOM 883 O OG . SER B 2 67 ? -0.730 -22.190 7.139 1.00 54.00 ? 72 SER B OG 1 ATOM 884 N N . ARG B 2 68 ? -3.747 -21.856 6.969 1.00 36.20 ? 73 ARG B N 1 ATOM 885 C CA . ARG B 2 68 ? -4.641 -22.084 5.860 1.00 36.55 ? 73 ARG B CA 1 ATOM 886 C C . ARG B 2 68 ? -3.898 -22.699 4.696 1.00 37.32 ? 73 ARG B C 1 ATOM 887 O O . ARG B 2 68 ? -4.514 -23.123 3.725 1.00 38.61 ? 73 ARG B O 1 ATOM 888 C CB . ARG B 2 68 ? -5.298 -20.779 5.415 1.00 36.58 ? 73 ARG B CB 1 ATOM 889 C CG . ARG B 2 68 ? -6.105 -20.905 4.120 1.00 37.42 ? 73 ARG B CG 1 ATOM 890 C CD . ARG B 2 68 ? -6.829 -19.613 3.783 1.00 41.25 ? 73 ARG B CD 1 ATOM 891 N NE . ARG B 2 68 ? -6.741 -19.270 2.365 1.00 44.28 ? 73 ARG B NE 1 ATOM 892 C CZ . ARG B 2 68 ? -5.612 -18.935 1.744 1.00 46.32 ? 73 ARG B CZ 1 ATOM 893 N NH1 . ARG B 2 68 ? -4.466 -18.897 2.408 1.00 48.18 ? 73 ARG B NH1 1 ATOM 894 N NH2 . ARG B 2 68 ? -5.625 -18.630 0.455 1.00 47.91 ? 73 ARG B NH2 1 ATOM 895 N N . THR B 2 69 ? -2.580 -22.781 4.772 1.00 37.95 ? 74 THR B N 1 ATOM 896 C CA . THR B 2 69 ? -1.891 -23.347 3.626 1.00 41.13 ? 74 THR B CA 1 ATOM 897 C C . THR B 2 69 ? -0.722 -24.314 3.820 1.00 40.36 ? 74 THR B C 1 ATOM 898 O O . THR B 2 69 ? -0.764 -25.440 3.308 1.00 39.97 ? 74 THR B O 1 ATOM 899 C CB . THR B 2 69 ? -1.457 -22.219 2.662 1.00 44.04 ? 74 THR B CB 1 ATOM 900 O OG1 . THR B 2 69 ? -0.322 -22.650 1.902 1.00 48.33 ? 74 THR B OG1 1 ATOM 901 C CG2 . THR B 2 69 ? -1.130 -20.940 3.434 1.00 44.18 ? 74 THR B CG2 1 ATOM 902 N N . ARG B 2 70 ? 0.325 -23.903 4.533 1.00 38.77 ? 75 ARG B N 1 ATOM 903 C CA . ARG B 2 70 ? 1.461 -24.803 4.705 1.00 37.72 ? 75 ARG B CA 1 ATOM 904 C C . ARG B 2 70 ? 1.024 -26.161 5.229 1.00 34.87 ? 75 ARG B C 1 ATOM 905 O O . ARG B 2 70 ? -0.065 -26.299 5.771 1.00 34.92 ? 75 ARG B O 1 ATOM 906 C CB . ARG B 2 70 ? 2.549 -24.189 5.618 1.00 39.65 ? 75 ARG B CB 1 ATOM 907 C CG . ARG B 2 70 ? 2.086 -23.475 6.891 1.00 40.02 ? 75 ARG B CG 1 ATOM 908 C CD . ARG B 2 70 ? 3.291 -23.042 7.746 1.00 39.22 ? 75 ARG B CD 1 ATOM 909 N NE . ARG B 2 70 ? 3.973 -24.186 8.361 1.00 41.08 ? 75 ARG B NE 1 ATOM 910 C CZ . ARG B 2 70 ? 3.933 -24.478 9.663 1.00 41.64 ? 75 ARG B CZ 1 ATOM 911 N NH1 . ARG B 2 70 ? 3.245 -23.710 10.494 1.00 42.80 ? 75 ARG B NH1 1 ATOM 912 N NH2 . ARG B 2 70 ? 4.577 -25.537 10.142 1.00 39.30 ? 75 ARG B NH2 1 ATOM 913 N N . TYR B 2 71 ? 1.868 -27.166 5.035 1.00 32.24 ? 76 TYR B N 1 ATOM 914 C CA . TYR B 2 71 ? 1.578 -28.514 5.505 1.00 32.81 ? 76 TYR B CA 1 ATOM 915 C C . TYR B 2 71 ? 2.216 -28.736 6.867 1.00 34.05 ? 76 TYR B C 1 ATOM 916 O O . TYR B 2 71 ? 3.349 -29.189 6.978 1.00 34.25 ? 76 TYR B O 1 ATOM 917 C CB . TYR B 2 71 ? 2.124 -29.530 4.522 1.00 35.84 ? 76 TYR B CB 1 ATOM 918 C CG . TYR B 2 71 ? 2.031 -30.960 4.998 1.00 36.00 ? 76 TYR B CG 1 ATOM 919 C CD1 . TYR B 2 71 ? 3.145 -31.620 5.527 1.00 35.73 ? 76 TYR B CD1 1 ATOM 920 C CD2 . TYR B 2 71 ? 0.831 -31.663 4.898 1.00 35.31 ? 76 TYR B CD2 1 ATOM 921 C CE1 . TYR B 2 71 ? 3.061 -32.947 5.940 1.00 35.82 ? 76 TYR B CE1 1 ATOM 922 C CE2 . TYR B 2 71 ? 0.738 -32.980 5.307 1.00 34.04 ? 76 TYR B CE2 1 ATOM 923 C CZ . TYR B 2 71 ? 1.850 -33.620 5.826 1.00 35.16 ? 76 TYR B CZ 1 ATOM 924 O OH . TYR B 2 71 ? 1.730 -34.934 6.225 1.00 36.47 ? 76 TYR B OH 1 ATOM 925 N N . GLU B 2 72 ? 1.455 -28.437 7.904 1.00 35.60 ? 77 GLU B N 1 ATOM 926 C CA . GLU B 2 72 ? 1.923 -28.529 9.274 1.00 38.93 ? 77 GLU B CA 1 ATOM 927 C C . GLU B 2 72 ? 2.152 -29.954 9.748 1.00 43.00 ? 77 GLU B C 1 ATOM 928 O O . GLU B 2 72 ? 1.465 -30.419 10.654 1.00 44.56 ? 77 GLU B O 1 ATOM 929 C CB . GLU B 2 72 ? 0.905 -27.804 10.161 1.00 38.88 ? 77 GLU B CB 1 ATOM 930 C CG . GLU B 2 72 ? 0.341 -26.546 9.466 1.00 38.70 ? 77 GLU B CG 1 ATOM 931 C CD . GLU B 2 72 ? -0.762 -25.834 10.231 1.00 36.54 ? 77 GLU B CD 1 ATOM 932 O OE1 . GLU B 2 72 ? -0.477 -25.279 11.312 1.00 38.16 ? 77 GLU B OE1 1 ATOM 933 O OE2 . GLU B 2 72 ? -1.913 -25.822 9.743 1.00 31.06 ? 77 GLU B OE2 1 ATOM 934 N N . ARG B 2 73 A 3.135 -30.639 9.161 1.00 46.92 ? 77 ARG B N 1 ATOM 935 C CA . ARG B 2 73 A 3.413 -32.027 9.542 1.00 52.00 ? 77 ARG B CA 1 ATOM 936 C C . ARG B 2 73 A 3.624 -32.240 11.037 1.00 53.29 ? 77 ARG B C 1 ATOM 937 O O . ARG B 2 73 A 3.962 -31.311 11.778 1.00 52.31 ? 77 ARG B O 1 ATOM 938 C CB . ARG B 2 73 A 4.622 -32.589 8.787 1.00 56.10 ? 77 ARG B CB 1 ATOM 939 C CG . ARG B 2 73 A 4.749 -34.118 8.911 1.00 62.42 ? 77 ARG B CG 1 ATOM 940 C CD . ARG B 2 73 A 5.822 -34.673 7.984 1.00 67.86 ? 77 ARG B CD 1 ATOM 941 N NE . ARG B 2 73 A 7.163 -34.282 8.415 1.00 72.71 ? 77 ARG B NE 1 ATOM 942 C CZ . ARG B 2 73 A 8.137 -33.910 7.588 1.00 74.54 ? 77 ARG B CZ 1 ATOM 943 N NH1 . ARG B 2 73 A 7.920 -33.872 6.278 1.00 75.31 ? 77 ARG B NH1 1 ATOM 944 N NH2 . ARG B 2 73 A 9.327 -33.572 8.073 1.00 76.23 ? 77 ARG B NH2 1 ATOM 945 N N . ASN B 2 74 ? 3.431 -33.487 11.459 1.00 54.89 ? 78 ASN B N 1 ATOM 946 C CA . ASN B 2 74 ? 3.556 -33.874 12.857 1.00 56.95 ? 78 ASN B CA 1 ATOM 947 C C . ASN B 2 74 ? 2.432 -33.232 13.675 1.00 54.85 ? 78 ASN B C 1 ATOM 948 O O . ASN B 2 74 ? 2.434 -33.255 14.910 1.00 56.35 ? 78 ASN B O 1 ATOM 949 C CB . ASN B 2 74 ? 4.933 -33.482 13.408 1.00 62.29 ? 78 ASN B CB 1 ATOM 950 C CG . ASN B 2 74 ? 6.050 -34.352 12.852 1.00 66.73 ? 78 ASN B CG 1 ATOM 951 O OD1 . ASN B 2 74 ? 6.369 -34.290 11.662 1.00 69.10 ? 78 ASN B OD1 1 ATOM 952 N ND2 . ASN B 2 74 ? 6.644 -35.179 13.714 1.00 68.32 ? 78 ASN B ND2 1 ATOM 953 N N . VAL B 2 75 ? 1.459 -32.664 12.973 1.00 50.34 ? 79 VAL B N 1 ATOM 954 C CA . VAL B 2 75 ? 0.329 -32.048 13.635 1.00 46.70 ? 79 VAL B CA 1 ATOM 955 C C . VAL B 2 75 ? -0.964 -32.421 12.946 1.00 45.20 ? 79 VAL B C 1 ATOM 956 O O . VAL B 2 75 ? -1.813 -33.078 13.548 1.00 47.65 ? 79 VAL B O 1 ATOM 957 C CB . VAL B 2 75 ? 0.438 -30.544 13.639 1.00 46.60 ? 79 VAL B CB 1 ATOM 958 C CG1 . VAL B 2 75 ? -0.739 -29.947 14.405 1.00 45.47 ? 79 VAL B CG1 1 ATOM 959 C CG2 . VAL B 2 75 ? 1.751 -30.142 14.258 1.00 48.87 ? 79 VAL B CG2 1 ATOM 960 N N . GLU B 2 76 ? -1.114 -32.003 11.689 1.00 40.92 ? 80 GLU B N 1 ATOM 961 C CA . GLU B 2 76 ? -2.325 -32.304 10.933 1.00 36.95 ? 80 GLU B CA 1 ATOM 962 C C . GLU B 2 76 ? -2.256 -33.696 10.334 1.00 34.30 ? 80 GLU B C 1 ATOM 963 O O . GLU B 2 76 ? -1.188 -34.174 9.966 1.00 34.45 ? 80 GLU B O 1 ATOM 964 C CB . GLU B 2 76 ? -2.553 -31.274 9.821 1.00 37.25 ? 80 GLU B CB 1 ATOM 965 C CG . GLU B 2 76 ? -1.565 -31.335 8.675 1.00 41.05 ? 80 GLU B CG 1 ATOM 966 C CD . GLU B 2 76 ? -1.909 -30.384 7.539 1.00 41.20 ? 80 GLU B CD 1 ATOM 967 O OE1 . GLU B 2 76 ? -2.906 -30.617 6.824 1.00 40.82 ? 80 GLU B OE1 1 ATOM 968 O OE2 . GLU B 2 76 ? -1.171 -29.399 7.360 1.00 42.32 ? 80 GLU B OE2 1 ATOM 969 N N . LYS B 2 77 ? -3.405 -34.345 10.239 1.00 32.43 ? 81 LYS B N 1 ATOM 970 C CA . LYS B 2 77 ? -3.457 -35.689 9.696 1.00 32.80 ? 81 LYS B CA 1 ATOM 971 C C . LYS B 2 77 ? -4.431 -35.737 8.536 1.00 31.79 ? 81 LYS B C 1 ATOM 972 O O . LYS B 2 77 ? -5.572 -35.287 8.662 1.00 32.21 ? 81 LYS B O 1 ATOM 973 C CB . LYS B 2 77 ? -3.894 -36.664 10.792 1.00 35.10 ? 81 LYS B CB 1 ATOM 974 C CG . LYS B 2 77 ? -2.978 -36.667 12.022 1.00 37.08 ? 81 LYS B CG 1 ATOM 975 C CD . LYS B 2 77 ? -1.541 -37.045 11.631 1.00 39.50 ? 81 LYS B CD 1 ATOM 976 C CE . LYS B 2 77 ? -0.610 -37.220 12.829 1.00 38.78 ? 81 LYS B CE 1 ATOM 977 N NZ . LYS B 2 77 ? 0.735 -37.730 12.409 1.00 36.83 ? 81 LYS B NZ 1 ATOM 978 N N . ILE B 2 78 ? -3.984 -36.273 7.403 1.00 29.54 ? 82 ILE B N 1 ATOM 979 C CA . ILE B 2 78 ? -4.860 -36.358 6.247 1.00 28.67 ? 82 ILE B CA 1 ATOM 980 C C . ILE B 2 78 ? -5.576 -37.687 6.288 1.00 29.10 ? 82 ILE B C 1 ATOM 981 O O . ILE B 2 78 ? -5.071 -38.655 6.856 1.00 28.55 ? 82 ILE B O 1 ATOM 982 C CB . ILE B 2 78 ? -4.081 -36.225 4.928 1.00 27.10 ? 82 ILE B CB 1 ATOM 983 C CG1 . ILE B 2 78 ? -3.095 -35.080 5.045 1.00 28.21 ? 82 ILE B CG1 1 ATOM 984 C CG2 . ILE B 2 78 ? -5.018 -35.850 3.799 1.00 27.67 ? 82 ILE B CG2 1 ATOM 985 C CD1 . ILE B 2 78 ? -3.743 -33.796 5.507 1.00 27.29 ? 82 ILE B CD1 1 ATOM 986 N N . SER B 2 79 ? -6.767 -37.723 5.703 1.00 29.47 ? 83 SER B N 1 ATOM 987 C CA . SER B 2 79 ? -7.548 -38.938 5.685 1.00 30.48 ? 83 SER B CA 1 ATOM 988 C C . SER B 2 79 ? -8.413 -39.034 4.455 1.00 31.53 ? 83 SER B C 1 ATOM 989 O O . SER B 2 79 ? -9.114 -38.084 4.099 1.00 32.37 ? 83 SER B O 1 ATOM 990 C CB . SER B 2 79 ? -8.425 -39.010 6.925 1.00 31.99 ? 83 SER B CB 1 ATOM 991 O OG . SER B 2 79 ? -7.626 -39.072 8.092 1.00 34.88 ? 83 SER B OG 1 ATOM 992 N N . MET B 2 80 ? -8.354 -40.193 3.810 1.00 32.67 ? 84 MET B N 1 ATOM 993 C CA . MET B 2 80 ? -9.140 -40.440 2.618 1.00 35.07 ? 84 MET B CA 1 ATOM 994 C C . MET B 2 80 ? -10.580 -40.761 2.996 1.00 34.15 ? 84 MET B C 1 ATOM 995 O O . MET B 2 80 ? -10.837 -41.412 4.010 1.00 35.07 ? 84 MET B O 1 ATOM 996 C CB . MET B 2 80 ? -8.522 -41.580 1.809 1.00 37.96 ? 84 MET B CB 1 ATOM 997 C CG . MET B 2 80 ? -7.232 -41.176 1.109 1.00 44.34 ? 84 MET B CG 1 ATOM 998 S SD . MET B 2 80 ? -7.374 -39.558 0.261 1.00 48.89 ? 84 MET B SD 1 ATOM 999 C CE . MET B 2 80 ? -6.181 -38.594 1.170 1.00 47.38 ? 84 MET B CE 1 ATOM 1000 N N . LEU B 2 81 ? -11.519 -40.286 2.187 1.00 31.53 ? 85 LEU B N 1 ATOM 1001 C CA . LEU B 2 81 ? -12.928 -40.517 2.452 1.00 29.59 ? 85 LEU B CA 1 ATOM 1002 C C . LEU B 2 81 ? -13.337 -41.856 1.921 1.00 29.41 ? 85 LEU B C 1 ATOM 1003 O O . LEU B 2 81 ? -12.962 -42.221 0.819 1.00 28.27 ? 85 LEU B O 1 ATOM 1004 C CB . LEU B 2 81 ? -13.783 -39.454 1.779 1.00 29.92 ? 85 LEU B CB 1 ATOM 1005 C CG . LEU B 2 81 ? -13.655 -38.016 2.277 1.00 30.02 ? 85 LEU B CG 1 ATOM 1006 C CD1 . LEU B 2 81 ? -14.687 -37.179 1.568 1.00 30.27 ? 85 LEU B CD1 1 ATOM 1007 C CD2 . LEU B 2 81 ? -13.874 -37.942 3.783 1.00 30.32 ? 85 LEU B CD2 1 ATOM 1008 N N . GLU B 2 82 ? -14.120 -42.586 2.702 1.00 32.31 ? 86 GLU B N 1 ATOM 1009 C CA . GLU B 2 82 ? -14.585 -43.902 2.284 1.00 35.30 ? 86 GLU B CA 1 ATOM 1010 C C . GLU B 2 82 ? -15.951 -43.776 1.629 1.00 33.70 ? 86 GLU B C 1 ATOM 1011 O O . GLU B 2 82 ? -16.175 -44.304 0.549 1.00 33.76 ? 86 GLU B O 1 ATOM 1012 C CB . GLU B 2 82 ? -14.666 -44.858 3.485 1.00 38.36 ? 86 GLU B CB 1 ATOM 1013 C CG . GLU B 2 82 ? -15.073 -46.282 3.118 1.00 43.11 ? 86 GLU B CG 1 ATOM 1014 C CD . GLU B 2 82 ? -15.017 -47.243 4.297 1.00 46.58 ? 86 GLU B CD 1 ATOM 1015 O OE1 . GLU B 2 82 ? -15.666 -46.975 5.332 1.00 47.43 ? 86 GLU B OE1 1 ATOM 1016 O OE2 . GLU B 2 82 ? -14.324 -48.275 4.182 1.00 47.56 ? 86 GLU B OE2 1 ATOM 1017 N N . LYS B 2 83 ? -16.863 -43.069 2.283 1.00 33.62 ? 87 LYS B N 1 ATOM 1018 C CA . LYS B 2 83 ? -18.201 -42.893 1.743 1.00 33.47 ? 87 LYS B CA 1 ATOM 1019 C C . LYS B 2 83 ? -18.812 -41.575 2.196 1.00 32.21 ? 87 LYS B C 1 ATOM 1020 O O . LYS B 2 83 ? -18.683 -41.164 3.345 1.00 33.67 ? 87 LYS B O 1 ATOM 1021 C CB . LYS B 2 83 ? -19.101 -44.050 2.170 1.00 35.83 ? 87 LYS B CB 1 ATOM 1022 C CG . LYS B 2 83 ? -20.366 -44.152 1.356 1.00 40.36 ? 87 LYS B CG 1 ATOM 1023 C CD . LYS B 2 83 ? -20.069 -44.520 -0.089 1.00 45.43 ? 87 LYS B CD 1 ATOM 1024 C CE . LYS B 2 83 ? -21.236 -44.169 -1.036 1.00 48.30 ? 87 LYS B CE 1 ATOM 1025 N NZ . LYS B 2 83 ? -22.543 -44.851 -0.755 1.00 44.91 ? 87 LYS B NZ 1 ATOM 1026 N N . ILE B 2 84 ? -19.480 -40.912 1.273 1.00 28.62 ? 88 ILE B N 1 ATOM 1027 C CA . ILE B 2 84 ? -20.109 -39.643 1.563 1.00 26.74 ? 88 ILE B CA 1 ATOM 1028 C C . ILE B 2 84 ? -21.600 -39.876 1.724 1.00 26.87 ? 88 ILE B C 1 ATOM 1029 O O . ILE B 2 84 ? -22.218 -40.525 0.898 1.00 29.71 ? 88 ILE B O 1 ATOM 1030 C CB . ILE B 2 84 ? -19.860 -38.669 0.406 1.00 25.09 ? 88 ILE B CB 1 ATOM 1031 C CG1 . ILE B 2 84 ? -18.383 -38.307 0.358 1.00 25.25 ? 88 ILE B CG1 1 ATOM 1032 C CG2 . ILE B 2 84 ? -20.716 -37.448 0.552 1.00 25.98 ? 88 ILE B CG2 1 ATOM 1033 C CD1 . ILE B 2 84 ? -18.036 -37.401 -0.763 1.00 24.94 ? 88 ILE B CD1 1 ATOM 1034 N N . TYR B 2 85 ? -22.189 -39.360 2.785 1.00 25.32 ? 89 TYR B N 1 ATOM 1035 C CA . TYR B 2 85 ? -23.611 -39.549 2.957 1.00 24.47 ? 89 TYR B CA 1 ATOM 1036 C C . TYR B 2 85 ? -24.298 -38.225 3.091 1.00 25.44 ? 89 TYR B C 1 ATOM 1037 O O . TYR B 2 85 ? -24.377 -37.664 4.179 1.00 27.57 ? 89 TYR B O 1 ATOM 1038 C CB . TYR B 2 85 ? -23.898 -40.383 4.189 1.00 24.39 ? 89 TYR B CB 1 ATOM 1039 C CG . TYR B 2 85 ? -23.316 -41.753 4.104 1.00 26.01 ? 89 TYR B CG 1 ATOM 1040 C CD1 . TYR B 2 85 ? -22.528 -42.252 5.128 1.00 28.20 ? 89 TYR B CD1 1 ATOM 1041 C CD2 . TYR B 2 85 ? -23.531 -42.548 2.993 1.00 27.56 ? 89 TYR B CD2 1 ATOM 1042 C CE1 . TYR B 2 85 ? -21.959 -43.514 5.048 1.00 27.52 ? 89 TYR B CE1 1 ATOM 1043 C CE2 . TYR B 2 85 ? -22.971 -43.816 2.903 1.00 28.87 ? 89 TYR B CE2 1 ATOM 1044 C CZ . TYR B 2 85 ? -22.183 -44.288 3.932 1.00 27.70 ? 89 TYR B CZ 1 ATOM 1045 O OH . TYR B 2 85 ? -21.603 -45.525 3.835 1.00 28.46 ? 89 TYR B OH 1 ATOM 1046 N N . VAL B 2 86 ? -24.785 -37.718 1.974 1.00 25.37 ? 90 VAL B N 1 ATOM 1047 C CA . VAL B 2 86 ? -25.497 -36.461 1.980 1.00 26.32 ? 90 VAL B CA 1 ATOM 1048 C C . VAL B 2 86 ? -26.998 -36.722 2.158 1.00 28.43 ? 90 VAL B C 1 ATOM 1049 O O . VAL B 2 86 ? -27.595 -37.529 1.449 1.00 30.25 ? 90 VAL B O 1 ATOM 1050 C CB . VAL B 2 86 ? -25.239 -35.708 0.679 1.00 24.81 ? 90 VAL B CB 1 ATOM 1051 C CG1 . VAL B 2 86 ? -24.809 -36.692 -0.388 1.00 24.47 ? 90 VAL B CG1 1 ATOM 1052 C CG2 . VAL B 2 86 ? -26.495 -34.977 0.241 1.00 25.30 ? 90 VAL B CG2 1 ATOM 1053 N N . HIS B 2 87 ? -27.590 -36.036 3.126 1.00 29.66 ? 91 HIS B N 1 ATOM 1054 C CA . HIS B 2 87 ? -29.005 -36.150 3.430 1.00 30.95 ? 91 HIS B CA 1 ATOM 1055 C C . HIS B 2 87 ? -29.847 -36.179 2.166 1.00 34.21 ? 91 HIS B C 1 ATOM 1056 O O . HIS B 2 87 ? -29.706 -35.317 1.304 1.00 34.21 ? 91 HIS B O 1 ATOM 1057 C CB . HIS B 2 87 ? -29.417 -34.961 4.275 1.00 29.42 ? 91 HIS B CB 1 ATOM 1058 C CG . HIS B 2 87 ? -30.778 -35.090 4.861 1.00 27.77 ? 91 HIS B CG 1 ATOM 1059 N ND1 . HIS B 2 87 ? -31.893 -35.300 4.087 1.00 27.50 ? 91 HIS B ND1 1 ATOM 1060 C CD2 . HIS B 2 87 ? -31.198 -35.069 6.145 1.00 29.42 ? 91 HIS B CD2 1 ATOM 1061 C CE1 . HIS B 2 87 ? -32.951 -35.408 4.877 1.00 31.09 ? 91 HIS B CE1 1 ATOM 1062 N NE2 . HIS B 2 87 ? -32.554 -35.271 6.127 1.00 30.38 ? 91 HIS B NE2 1 ATOM 1063 N N . PRO B 2 88 ? -30.750 -37.165 2.045 1.00 37.55 ? 92 PRO B N 1 ATOM 1064 C CA . PRO B 2 88 ? -31.629 -37.317 0.877 1.00 41.33 ? 92 PRO B CA 1 ATOM 1065 C C . PRO B 2 88 ? -32.528 -36.104 0.627 1.00 44.04 ? 92 PRO B C 1 ATOM 1066 O O . PRO B 2 88 ? -32.460 -35.488 -0.441 1.00 44.74 ? 92 PRO B O 1 ATOM 1067 C CB . PRO B 2 88 ? -32.430 -38.571 1.213 1.00 41.54 ? 92 PRO B CB 1 ATOM 1068 C CG . PRO B 2 88 ? -32.553 -38.478 2.691 1.00 41.01 ? 92 PRO B CG 1 ATOM 1069 C CD . PRO B 2 88 ? -31.131 -38.118 3.097 1.00 38.92 ? 92 PRO B CD 1 ATOM 1070 N N . ARG B 2 89 ? -33.365 -35.765 1.607 1.00 46.35 ? 93 ARG B N 1 ATOM 1071 C CA . ARG B 2 89 ? -34.266 -34.618 1.484 1.00 49.13 ? 93 ARG B CA 1 ATOM 1072 C C . ARG B 2 89 ? -33.515 -33.278 1.517 1.00 48.64 ? 93 ARG B C 1 ATOM 1073 O O . ARG B 2 89 ? -34.067 -32.256 1.926 1.00 50.91 ? 93 ARG B O 1 ATOM 1074 C CB . ARG B 2 89 ? -35.317 -34.631 2.600 1.00 53.15 ? 93 ARG B CB 1 ATOM 1075 C CG . ARG B 2 89 ? -36.311 -35.780 2.551 1.00 60.62 ? 93 ARG B CG 1 ATOM 1076 C CD . ARG B 2 89 ? -36.977 -35.984 3.920 1.00 67.15 ? 93 ARG B CD 1 ATOM 1077 N NE . ARG B 2 89 ? -36.036 -36.505 4.921 1.00 74.10 ? 93 ARG B NE 1 ATOM 1078 C CZ . ARG B 2 89 ? -36.247 -36.507 6.238 1.00 76.38 ? 93 ARG B CZ 1 ATOM 1079 N NH1 . ARG B 2 89 ? -37.373 -36.012 6.734 1.00 80.86 ? 93 ARG B NH1 1 ATOM 1080 N NH2 . ARG B 2 89 ? -35.331 -36.997 7.067 1.00 74.66 ? 93 ARG B NH2 1 ATOM 1081 N N . TYR B 2 90 ? -32.248 -33.288 1.119 1.00 45.38 ? 94 TYR B N 1 ATOM 1082 C CA . TYR B 2 90 ? -31.476 -32.061 1.064 1.00 41.44 ? 94 TYR B CA 1 ATOM 1083 C C . TYR B 2 90 ? -32.109 -31.333 -0.100 1.00 41.03 ? 94 TYR B C 1 ATOM 1084 O O . TYR B 2 90 ? -32.455 -31.957 -1.093 1.00 40.46 ? 94 TYR B O 1 ATOM 1085 C CB . TYR B 2 90 ? -30.019 -32.394 0.777 1.00 40.68 ? 94 TYR B CB 1 ATOM 1086 C CG . TYR B 2 90 ? -29.218 -31.311 0.098 1.00 40.32 ? 94 TYR B CG 1 ATOM 1087 C CD1 . TYR B 2 90 ? -29.331 -29.978 0.479 1.00 40.66 ? 94 TYR B CD1 1 ATOM 1088 C CD2 . TYR B 2 90 ? -28.281 -31.638 -0.882 1.00 39.57 ? 94 TYR B CD2 1 ATOM 1089 C CE1 . TYR B 2 90 ? -28.518 -29.000 -0.097 1.00 41.52 ? 94 TYR B CE1 1 ATOM 1090 C CE2 . TYR B 2 90 ? -27.467 -30.675 -1.457 1.00 37.74 ? 94 TYR B CE2 1 ATOM 1091 C CZ . TYR B 2 90 ? -27.589 -29.362 -1.062 1.00 39.71 ? 94 TYR B CZ 1 ATOM 1092 O OH . TYR B 2 90 ? -26.760 -28.420 -1.615 1.00 40.69 ? 94 TYR B OH 1 ATOM 1093 N N . ASN B 2 91 ? -32.288 -30.027 0.017 1.00 43.10 ? 95 ASN B N 1 ATOM 1094 C CA . ASN B 2 91 ? -32.919 -29.269 -1.060 1.00 45.33 ? 95 ASN B CA 1 ATOM 1095 C C . ASN B 2 91 ? -32.062 -28.154 -1.652 1.00 43.44 ? 95 ASN B C 1 ATOM 1096 O O . ASN B 2 91 ? -32.183 -26.988 -1.266 1.00 41.31 ? 95 ASN B O 1 ATOM 1097 C CB . ASN B 2 91 ? -34.240 -28.676 -0.578 1.00 50.85 ? 95 ASN B CB 1 ATOM 1098 C CG . ASN B 2 91 ? -34.876 -27.771 -1.613 1.00 55.58 ? 95 ASN B CG 1 ATOM 1099 O OD1 . ASN B 2 91 ? -35.265 -28.222 -2.691 1.00 57.04 ? 95 ASN B OD1 1 ATOM 1100 N ND2 . ASN B 2 91 ? -34.972 -26.483 -1.295 1.00 59.89 ? 95 ASN B ND2 1 ATOM 1101 N N . TRP B 2 92 ? -31.226 -28.522 -2.615 1.00 41.82 ? 96 TRP B N 1 ATOM 1102 C CA . TRP B 2 92 ? -30.329 -27.596 -3.286 1.00 41.00 ? 96 TRP B CA 1 ATOM 1103 C C . TRP B 2 92 ? -30.993 -26.673 -4.293 1.00 42.49 ? 96 TRP B C 1 ATOM 1104 O O . TRP B 2 92 ? -30.396 -25.685 -4.708 1.00 41.64 ? 96 TRP B O 1 ATOM 1105 C CB . TRP B 2 92 ? -29.253 -28.371 -4.017 1.00 40.87 ? 96 TRP B CB 1 ATOM 1106 C CG . TRP B 2 92 ? -29.785 -29.312 -5.067 1.00 39.44 ? 96 TRP B CG 1 ATOM 1107 C CD1 . TRP B 2 92 ? -30.139 -30.616 -4.894 1.00 39.22 ? 96 TRP B CD1 1 ATOM 1108 C CD2 . TRP B 2 92 ? -29.980 -29.031 -6.457 1.00 39.11 ? 96 TRP B CD2 1 ATOM 1109 N NE1 . TRP B 2 92 ? -30.535 -31.162 -6.084 1.00 40.17 ? 96 TRP B NE1 1 ATOM 1110 C CE2 . TRP B 2 92 ? -30.452 -30.210 -7.056 1.00 40.66 ? 96 TRP B CE2 1 ATOM 1111 C CE3 . TRP B 2 92 ? -29.807 -27.890 -7.238 1.00 41.37 ? 96 TRP B CE3 1 ATOM 1112 C CZ2 . TRP B 2 92 ? -30.740 -30.290 -8.426 1.00 43.94 ? 96 TRP B CZ2 1 ATOM 1113 C CZ3 . TRP B 2 92 ? -30.094 -27.971 -8.596 1.00 45.76 ? 96 TRP B CZ3 1 ATOM 1114 C CH2 . TRP B 2 92 ? -30.564 -29.162 -9.174 1.00 45.23 ? 96 TRP B CH2 1 ATOM 1115 N N . ARG B 2 93 ? -32.214 -26.999 -4.703 1.00 45.47 ? 97 ARG B N 1 ATOM 1116 C CA . ARG B 2 93 ? -32.915 -26.178 -5.686 1.00 47.36 ? 97 ARG B CA 1 ATOM 1117 C C . ARG B 2 93 ? -33.553 -24.912 -5.135 1.00 44.83 ? 97 ARG B C 1 ATOM 1118 O O . ARG B 2 93 ? -33.381 -23.847 -5.710 1.00 42.89 ? 97 ARG B O 1 ATOM 1119 C CB . ARG B 2 93 ? -34.007 -26.984 -6.419 1.00 52.75 ? 97 ARG B CB 1 ATOM 1120 C CG . ARG B 2 93 ? -33.520 -28.072 -7.404 1.00 58.97 ? 97 ARG B CG 1 ATOM 1121 C CD . ARG B 2 93 ? -34.665 -28.560 -8.323 1.00 62.33 ? 97 ARG B CD 1 ATOM 1122 N NE . ARG B 2 93 ? -34.290 -29.666 -9.209 1.00 65.07 ? 97 ARG B NE 1 ATOM 1123 C CZ . ARG B 2 93 ? -34.199 -30.937 -8.830 1.00 67.66 ? 97 ARG B CZ 1 ATOM 1124 N NH1 . ARG B 2 93 ? -34.458 -31.278 -7.572 1.00 68.69 ? 97 ARG B NH1 1 ATOM 1125 N NH2 . ARG B 2 93 ? -33.851 -31.867 -9.712 1.00 68.61 ? 97 ARG B NH2 1 ATOM 1126 N N . GLU B 2 94 A -34.267 -25.015 -4.019 1.00 43.58 ? 97 GLU B N 1 ATOM 1127 C CA . GLU B 2 94 A -34.973 -23.851 -3.465 1.00 44.29 ? 97 GLU B CA 1 ATOM 1128 C C . GLU B 2 94 A -34.361 -22.971 -2.355 1.00 41.87 ? 97 GLU B C 1 ATOM 1129 O O . GLU B 2 94 A -33.939 -21.836 -2.609 1.00 42.34 ? 97 GLU B O 1 ATOM 1130 C CB . GLU B 2 94 A -36.359 -24.292 -3.002 1.00 47.68 ? 97 GLU B CB 1 ATOM 1131 C CG . GLU B 2 94 A -37.242 -23.152 -2.507 1.00 50.59 ? 97 GLU B CG 1 ATOM 1132 C CD . GLU B 2 94 A -38.240 -23.610 -1.458 1.00 53.14 ? 97 GLU B CD 1 ATOM 1133 O OE1 . GLU B 2 94 A -38.747 -24.756 -1.568 1.00 54.42 ? 97 GLU B OE1 1 ATOM 1134 O OE2 . GLU B 2 94 A -38.516 -22.818 -0.528 1.00 51.39 ? 97 GLU B OE2 1 ATOM 1135 N N . ASN B 2 95 ? -34.361 -23.474 -1.120 1.00 37.46 ? 98 ASN B N 1 ATOM 1136 C CA . ASN B 2 95 ? -33.835 -22.712 0.006 1.00 32.70 ? 98 ASN B CA 1 ATOM 1137 C C . ASN B 2 95 ? -32.646 -23.356 0.681 1.00 30.56 ? 98 ASN B C 1 ATOM 1138 O O . ASN B 2 95 ? -32.197 -22.895 1.732 1.00 30.89 ? 98 ASN B O 1 ATOM 1139 C CB . ASN B 2 95 ? -34.920 -22.472 1.059 1.00 31.44 ? 98 ASN B CB 1 ATOM 1140 C CG . ASN B 2 95 ? -35.331 -23.737 1.777 1.00 30.50 ? 98 ASN B CG 1 ATOM 1141 O OD1 . ASN B 2 95 ? -34.568 -24.704 1.852 1.00 30.30 ? 98 ASN B OD1 1 ATOM 1142 N ND2 . ASN B 2 95 ? -36.540 -23.732 2.329 1.00 28.67 ? 98 ASN B ND2 1 ATOM 1143 N N . LEU B 2 96 ? -32.154 -24.440 0.102 1.00 27.89 ? 99 LEU B N 1 ATOM 1144 C CA . LEU B 2 96 ? -30.989 -25.098 0.662 1.00 26.78 ? 99 LEU B CA 1 ATOM 1145 C C . LEU B 2 96 ? -31.334 -25.699 2.005 1.00 26.45 ? 99 LEU B C 1 ATOM 1146 O O . LEU B 2 96 ? -30.532 -25.674 2.931 1.00 26.02 ? 99 LEU B O 1 ATOM 1147 C CB . LEU B 2 96 ? -29.860 -24.076 0.824 1.00 24.31 ? 99 LEU B CB 1 ATOM 1148 C CG . LEU B 2 96 ? -28.429 -24.578 0.724 1.00 21.68 ? 99 LEU B CG 1 ATOM 1149 C CD1 . LEU B 2 96 ? -28.235 -25.253 -0.614 1.00 24.30 ? 99 LEU B CD1 1 ATOM 1150 C CD2 . LEU B 2 96 ? -27.474 -23.413 0.863 1.00 23.15 ? 99 LEU B CD2 1 ATOM 1151 N N . ASP B 2 97 ? -32.535 -26.242 2.111 1.00 26.32 ? 100 ASP B N 1 ATOM 1152 C CA . ASP B 2 97 ? -32.953 -26.840 3.364 1.00 28.36 ? 100 ASP B CA 1 ATOM 1153 C C . ASP B 2 97 ? -32.156 -28.112 3.665 1.00 29.53 ? 100 ASP B C 1 ATOM 1154 O O . ASP B 2 97 ? -31.653 -28.766 2.752 1.00 29.96 ? 100 ASP B O 1 ATOM 1155 C CB . ASP B 2 97 ? -34.437 -27.178 3.311 1.00 28.25 ? 100 ASP B CB 1 ATOM 1156 C CG . ASP B 2 97 ? -34.907 -27.885 4.553 1.00 28.55 ? 100 ASP B CG 1 ATOM 1157 O OD1 . ASP B 2 97 ? -35.908 -28.624 4.474 1.00 26.85 ? 100 ASP B OD1 1 ATOM 1158 O OD2 . ASP B 2 97 ? -34.273 -27.699 5.611 1.00 31.43 ? 100 ASP B OD2 1 ATOM 1159 N N . ARG B 2 98 ? -32.043 -28.458 4.945 1.00 30.30 ? 101 ARG B N 1 ATOM 1160 C CA . ARG B 2 98 ? -31.328 -29.662 5.351 1.00 33.50 ? 101 ARG B CA 1 ATOM 1161 C C . ARG B 2 98 ? -29.955 -29.728 4.713 1.00 32.35 ? 101 ARG B C 1 ATOM 1162 O O . ARG B 2 98 ? -29.622 -30.714 4.066 1.00 33.19 ? 101 ARG B O 1 ATOM 1163 C CB . ARG B 2 98 ? -32.109 -30.917 4.938 1.00 39.90 ? 101 ARG B CB 1 ATOM 1164 C CG . ARG B 2 98 ? -33.510 -31.020 5.507 1.00 47.25 ? 101 ARG B CG 1 ATOM 1165 C CD . ARG B 2 98 ? -34.075 -32.414 5.293 1.00 54.30 ? 101 ARG B CD 1 ATOM 1166 N NE . ARG B 2 98 ? -35.226 -32.690 6.155 1.00 61.68 ? 101 ARG B NE 1 ATOM 1167 C CZ . ARG B 2 98 ? -36.429 -32.141 6.001 1.00 64.87 ? 101 ARG B CZ 1 ATOM 1168 N NH1 . ARG B 2 98 ? -36.635 -31.284 5.008 1.00 65.74 ? 101 ARG B NH1 1 ATOM 1169 N NH2 . ARG B 2 98 ? -37.421 -32.438 6.841 1.00 65.97 ? 101 ARG B NH2 1 ATOM 1170 N N . ASP B 2 99 ? -29.162 -28.679 4.875 1.00 30.27 ? 102 ASP B N 1 ATOM 1171 C CA . ASP B 2 99 ? -27.822 -28.668 4.297 1.00 28.10 ? 102 ASP B CA 1 ATOM 1172 C C . ASP B 2 99 ? -26.930 -29.499 5.198 1.00 25.66 ? 102 ASP B C 1 ATOM 1173 O O . ASP B 2 99 ? -26.413 -28.990 6.180 1.00 27.30 ? 102 ASP B O 1 ATOM 1174 C CB . ASP B 2 99 ? -27.271 -27.244 4.238 1.00 27.97 ? 102 ASP B CB 1 ATOM 1175 C CG . ASP B 2 99 ? -26.031 -27.145 3.390 1.00 29.23 ? 102 ASP B CG 1 ATOM 1176 O OD1 . ASP B 2 99 ? -25.297 -28.147 3.298 1.00 26.90 ? 102 ASP B OD1 1 ATOM 1177 O OD2 . ASP B 2 99 ? -25.786 -26.066 2.820 1.00 32.82 ? 102 ASP B OD2 1 ATOM 1178 N N . ILE B 2 100 ? -26.738 -30.771 4.884 1.00 22.07 ? 103 ILE B N 1 ATOM 1179 C CA . ILE B 2 100 ? -25.905 -31.577 5.748 1.00 20.87 ? 103 ILE B CA 1 ATOM 1180 C C . ILE B 2 100 ? -25.409 -32.838 5.092 1.00 20.75 ? 103 ILE B C 1 ATOM 1181 O O . ILE B 2 100 ? -26.018 -33.341 4.164 1.00 22.64 ? 103 ILE B O 1 ATOM 1182 C CB . ILE B 2 100 ? -26.655 -31.960 7.016 1.00 20.93 ? 103 ILE B CB 1 ATOM 1183 C CG1 . ILE B 2 100 ? -25.674 -32.514 8.044 1.00 21.49 ? 103 ILE B CG1 1 ATOM 1184 C CG2 . ILE B 2 100 ? -27.697 -33.000 6.697 1.00 21.91 ? 103 ILE B CG2 1 ATOM 1185 C CD1 . ILE B 2 100 ? -26.275 -32.741 9.407 1.00 27.83 ? 103 ILE B CD1 1 ATOM 1186 N N . ALA B 2 101 ? -24.299 -33.355 5.603 1.00 20.40 ? 104 ALA B N 1 ATOM 1187 C CA . ALA B 2 101 ? -23.693 -34.561 5.067 1.00 19.14 ? 104 ALA B CA 1 ATOM 1188 C C . ALA B 2 101 ? -22.719 -35.192 6.054 1.00 18.47 ? 104 ALA B C 1 ATOM 1189 O O . ALA B 2 101 ? -22.163 -34.513 6.918 1.00 21.84 ? 104 ALA B O 1 ATOM 1190 C CB . ALA B 2 101 ? -22.977 -34.229 3.780 1.00 19.06 ? 104 ALA B CB 1 ATOM 1191 N N . LEU B 2 102 ? -22.515 -36.498 5.919 1.00 15.88 ? 105 LEU B N 1 ATOM 1192 C CA . LEU B 2 102 ? -21.594 -37.225 6.779 1.00 12.45 ? 105 LEU B CA 1 ATOM 1193 C C . LEU B 2 102 ? -20.401 -37.768 6.024 1.00 13.01 ? 105 LEU B C 1 ATOM 1194 O O . LEU B 2 102 ? -20.533 -38.258 4.910 1.00 14.32 ? 105 LEU B O 1 ATOM 1195 C CB . LEU B 2 102 ? -22.319 -38.356 7.476 1.00 4.98 ? 105 LEU B CB 1 ATOM 1196 C CG . LEU B 2 102 ? -22.908 -37.703 8.704 1.00 8.54 ? 105 LEU B CG 1 ATOM 1197 C CD1 . LEU B 2 102 ? -23.953 -38.566 9.301 1.00 15.66 ? 105 LEU B CD1 1 ATOM 1198 C CD2 . LEU B 2 102 ? -21.802 -37.434 9.680 1.00 6.41 ? 105 LEU B CD2 1 ATOM 1199 N N . LEU B 2 103 ? -19.225 -37.672 6.621 1.00 13.44 ? 106 LEU B N 1 ATOM 1200 C CA . LEU B 2 103 ? -18.051 -38.180 5.957 1.00 15.52 ? 106 LEU B CA 1 ATOM 1201 C C . LEU B 2 103 ? -17.381 -39.297 6.753 1.00 20.10 ? 106 LEU B C 1 ATOM 1202 O O . LEU B 2 103 ? -16.997 -39.112 7.908 1.00 18.95 ? 106 LEU B O 1 ATOM 1203 C CB . LEU B 2 103 ? -17.096 -37.032 5.670 1.00 11.17 ? 106 LEU B CB 1 ATOM 1204 C CG . LEU B 2 103 ? -17.731 -35.964 4.781 1.00 6.96 ? 106 LEU B CG 1 ATOM 1205 C CD1 . LEU B 2 103 ? -16.658 -35.101 4.215 1.00 8.59 ? 106 LEU B CD1 1 ATOM 1206 C CD2 . LEU B 2 103 ? -18.476 -36.590 3.647 1.00 6.90 ? 106 LEU B CD2 1 ATOM 1207 N N . LYS B 2 104 ? -17.272 -40.461 6.112 1.00 24.93 ? 107 LYS B N 1 ATOM 1208 C CA . LYS B 2 104 ? -16.683 -41.670 6.692 1.00 28.92 ? 107 LYS B CA 1 ATOM 1209 C C . LYS B 2 104 ? -15.238 -41.804 6.247 1.00 29.40 ? 107 LYS B C 1 ATOM 1210 O O . LYS B 2 104 ? -14.960 -42.199 5.116 1.00 29.25 ? 107 LYS B O 1 ATOM 1211 C CB . LYS B 2 104 ? -17.465 -42.895 6.225 1.00 32.09 ? 107 LYS B CB 1 ATOM 1212 C CG . LYS B 2 104 ? -17.826 -43.882 7.315 1.00 37.80 ? 107 LYS B CG 1 ATOM 1213 C CD . LYS B 2 104 ? -16.670 -44.796 7.701 1.00 40.72 ? 107 LYS B CD 1 ATOM 1214 C CE . LYS B 2 104 ? -17.196 -46.139 8.239 1.00 41.94 ? 107 LYS B CE 1 ATOM 1215 N NZ . LYS B 2 104 ? -17.998 -46.886 7.202 1.00 42.92 ? 107 LYS B NZ 1 ATOM 1216 N N . LEU B 2 105 ? -14.329 -41.471 7.156 1.00 29.63 ? 108 LEU B N 1 ATOM 1217 C CA . LEU B 2 105 ? -12.894 -41.521 6.911 1.00 30.09 ? 108 LEU B CA 1 ATOM 1218 C C . LEU B 2 105 ? -12.412 -42.958 6.724 1.00 33.47 ? 108 LEU B C 1 ATOM 1219 O O . LEU B 2 105 ? -12.707 -43.818 7.554 1.00 36.56 ? 108 LEU B O 1 ATOM 1220 C CB . LEU B 2 105 ? -12.173 -40.901 8.099 1.00 25.63 ? 108 LEU B CB 1 ATOM 1221 C CG . LEU B 2 105 ? -12.797 -39.639 8.680 1.00 20.21 ? 108 LEU B CG 1 ATOM 1222 C CD1 . LEU B 2 105 ? -11.947 -39.123 9.822 1.00 17.89 ? 108 LEU B CD1 1 ATOM 1223 C CD2 . LEU B 2 105 ? -12.906 -38.602 7.597 1.00 19.90 ? 108 LEU B CD2 1 ATOM 1224 N N . LYS B 2 106 ? -11.658 -43.214 5.655 1.00 35.32 ? 109 LYS B N 1 ATOM 1225 C CA . LYS B 2 106 ? -11.161 -44.561 5.385 1.00 37.18 ? 109 LYS B CA 1 ATOM 1226 C C . LYS B 2 106 ? -10.578 -45.192 6.622 1.00 36.01 ? 109 LYS B C 1 ATOM 1227 O O . LYS B 2 106 ? -11.030 -46.241 7.065 1.00 36.04 ? 109 LYS B O 1 ATOM 1228 C CB . LYS B 2 106 ? -10.100 -44.548 4.291 1.00 42.74 ? 109 LYS B CB 1 ATOM 1229 C CG . LYS B 2 106 ? -10.623 -44.898 2.889 1.00 50.20 ? 109 LYS B CG 1 ATOM 1230 C CD . LYS B 2 106 ? -9.473 -44.921 1.873 1.00 54.86 ? 109 LYS B CD 1 ATOM 1231 C CE . LYS B 2 106 ? -9.956 -45.055 0.436 1.00 55.87 ? 109 LYS B CE 1 ATOM 1232 N NZ . LYS B 2 106 ? -8.827 -44.843 -0.522 1.00 59.04 ? 109 LYS B NZ 1 ATOM 1233 N N . LYS B 2 107 ? -9.565 -44.562 7.185 1.00 35.53 ? 110 LYS B N 1 ATOM 1234 C CA . LYS B 2 107 ? -8.972 -45.114 8.387 1.00 37.59 ? 110 LYS B CA 1 ATOM 1235 C C . LYS B 2 107 ? -9.103 -44.116 9.524 1.00 35.52 ? 110 LYS B C 1 ATOM 1236 O O . LYS B 2 107 ? -8.800 -42.934 9.368 1.00 36.04 ? 110 LYS B O 1 ATOM 1237 C CB . LYS B 2 107 ? -7.504 -45.488 8.140 1.00 42.87 ? 110 LYS B CB 1 ATOM 1238 C CG . LYS B 2 107 ? -7.318 -46.627 7.129 1.00 46.55 ? 110 LYS B CG 1 ATOM 1239 C CD . LYS B 2 107 ? -5.856 -47.059 7.031 1.00 50.09 ? 110 LYS B CD 1 ATOM 1240 C CE . LYS B 2 107 ? -5.665 -48.227 6.063 1.00 52.17 ? 110 LYS B CE 1 ATOM 1241 N NZ . LYS B 2 107 ? -4.247 -48.705 6.026 1.00 53.80 ? 110 LYS B NZ 1 ATOM 1242 N N . PRO B 2 108 ? -9.546 -44.589 10.691 1.00 33.79 ? 111 PRO B N 1 ATOM 1243 C CA . PRO B 2 108 ? -9.725 -43.729 11.857 1.00 33.42 ? 111 PRO B CA 1 ATOM 1244 C C . PRO B 2 108 ? -8.554 -42.799 12.039 1.00 33.20 ? 111 PRO B C 1 ATOM 1245 O O . PRO B 2 108 ? -7.425 -43.150 11.724 1.00 33.39 ? 111 PRO B O 1 ATOM 1246 C CB . PRO B 2 108 ? -9.862 -44.724 12.999 1.00 34.64 ? 111 PRO B CB 1 ATOM 1247 C CG . PRO B 2 108 ? -8.995 -45.842 12.547 1.00 37.31 ? 111 PRO B CG 1 ATOM 1248 C CD . PRO B 2 108 ? -9.410 -45.990 11.107 1.00 35.92 ? 111 PRO B CD 1 ATOM 1249 N N . VAL B 2 109 ? -8.836 -41.602 12.530 1.00 34.16 ? 112 VAL B N 1 ATOM 1250 C CA . VAL B 2 109 ? -7.794 -40.621 12.756 1.00 35.31 ? 112 VAL B CA 1 ATOM 1251 C C . VAL B 2 109 ? -7.362 -40.587 14.219 1.00 33.88 ? 112 VAL B C 1 ATOM 1252 O O . VAL B 2 109 ? -8.180 -40.674 15.136 1.00 34.71 ? 112 VAL B O 1 ATOM 1253 C CB . VAL B 2 109 ? -8.239 -39.211 12.311 1.00 36.60 ? 112 VAL B CB 1 ATOM 1254 C CG1 . VAL B 2 109 ? -9.614 -38.886 12.869 1.00 37.02 ? 112 VAL B CG1 1 ATOM 1255 C CG2 . VAL B 2 109 ? -7.213 -38.183 12.782 1.00 38.67 ? 112 VAL B CG2 1 ATOM 1256 N N . PRO B 2 110 ? -6.054 -40.464 14.448 1.00 33.09 ? 113 PRO B N 1 ATOM 1257 C CA . PRO B 2 110 ? -5.474 -40.425 15.788 1.00 31.79 ? 113 PRO B CA 1 ATOM 1258 C C . PRO B 2 110 ? -5.657 -39.065 16.419 1.00 29.69 ? 113 PRO B C 1 ATOM 1259 O O . PRO B 2 110 ? -5.384 -38.041 15.797 1.00 30.01 ? 113 PRO B O 1 ATOM 1260 C CB . PRO B 2 110 ? -4.001 -40.738 15.543 1.00 34.99 ? 113 PRO B CB 1 ATOM 1261 C CG . PRO B 2 110 ? -3.967 -41.307 14.109 1.00 37.40 ? 113 PRO B CG 1 ATOM 1262 C CD . PRO B 2 110 ? -4.997 -40.484 13.426 1.00 34.57 ? 113 PRO B CD 1 ATOM 1263 N N . PHE B 2 111 ? -6.113 -39.074 17.663 1.00 28.41 ? 114 PHE B N 1 ATOM 1264 C CA . PHE B 2 111 ? -6.343 -37.856 18.415 1.00 27.78 ? 114 PHE B CA 1 ATOM 1265 C C . PHE B 2 111 ? -5.047 -37.256 18.914 1.00 29.00 ? 114 PHE B C 1 ATOM 1266 O O . PHE B 2 111 ? -4.000 -37.892 18.862 1.00 30.40 ? 114 PHE B O 1 ATOM 1267 C CB . PHE B 2 111 ? -7.266 -38.155 19.582 1.00 24.52 ? 114 PHE B CB 1 ATOM 1268 C CG . PHE B 2 111 ? -8.613 -38.644 19.161 1.00 21.33 ? 114 PHE B CG 1 ATOM 1269 C CD1 . PHE B 2 111 ? -9.114 -38.325 17.906 1.00 19.59 ? 114 PHE B CD1 1 ATOM 1270 C CD2 . PHE B 2 111 ? -9.416 -39.346 20.037 1.00 22.69 ? 114 PHE B CD2 1 ATOM 1271 C CE1 . PHE B 2 111 ? -10.396 -38.687 17.534 1.00 18.63 ? 114 PHE B CE1 1 ATOM 1272 C CE2 . PHE B 2 111 ? -10.702 -39.709 19.672 1.00 23.99 ? 114 PHE B CE2 1 ATOM 1273 C CZ . PHE B 2 111 ? -11.193 -39.375 18.412 1.00 21.27 ? 114 PHE B CZ 1 ATOM 1274 N N . SER B 2 112 ? -5.113 -36.028 19.405 1.00 29.20 ? 115 SER B N 1 ATOM 1275 C CA . SER B 2 112 ? -3.912 -35.373 19.884 1.00 30.48 ? 115 SER B CA 1 ATOM 1276 C C . SER B 2 112 ? -4.281 -34.041 20.479 1.00 31.09 ? 115 SER B C 1 ATOM 1277 O O . SER B 2 112 ? -5.445 -33.772 20.734 1.00 30.57 ? 115 SER B O 1 ATOM 1278 C CB . SER B 2 112 ? -2.963 -35.154 18.724 1.00 31.53 ? 115 SER B CB 1 ATOM 1279 O OG . SER B 2 112 ? -3.639 -34.467 17.689 1.00 33.68 ? 115 SER B OG 1 ATOM 1280 N N . ASP B 2 113 ? -3.289 -33.196 20.693 1.00 32.80 ? 116 ASP B N 1 ATOM 1281 C CA . ASP B 2 113 ? -3.573 -31.902 21.262 1.00 35.60 ? 116 ASP B CA 1 ATOM 1282 C C . ASP B 2 113 ? -4.266 -31.012 20.258 1.00 36.63 ? 116 ASP B C 1 ATOM 1283 O O . ASP B 2 113 ? -4.941 -30.074 20.645 1.00 39.94 ? 116 ASP B O 1 ATOM 1284 C CB . ASP B 2 113 ? -2.288 -31.233 21.751 1.00 38.29 ? 116 ASP B CB 1 ATOM 1285 C CG . ASP B 2 113 ? -1.628 -32.002 22.893 1.00 40.62 ? 116 ASP B CG 1 ATOM 1286 O OD1 . ASP B 2 113 ? -2.222 -33.006 23.353 1.00 39.78 ? 116 ASP B OD1 1 ATOM 1287 O OD2 . ASP B 2 113 ? -0.521 -31.604 23.330 1.00 40.93 ? 116 ASP B OD2 1 ATOM 1288 N N . TYR B 2 114 ? -4.134 -31.311 18.974 1.00 36.82 ? 117 TYR B N 1 ATOM 1289 C CA . TYR B 2 114 ? -4.763 -30.471 17.961 1.00 39.70 ? 117 TYR B CA 1 ATOM 1290 C C . TYR B 2 114 ? -5.930 -31.096 17.199 1.00 38.69 ? 117 TYR B C 1 ATOM 1291 O O . TYR B 2 114 ? -6.504 -30.485 16.291 1.00 39.23 ? 117 TYR B O 1 ATOM 1292 C CB . TYR B 2 114 ? -3.697 -30.008 16.988 1.00 44.32 ? 117 TYR B CB 1 ATOM 1293 C CG . TYR B 2 114 ? -2.495 -29.483 17.709 1.00 48.70 ? 117 TYR B CG 1 ATOM 1294 C CD1 . TYR B 2 114 ? -2.537 -28.269 18.386 1.00 50.42 ? 117 TYR B CD1 1 ATOM 1295 C CD2 . TYR B 2 114 ? -1.330 -30.230 17.771 1.00 52.48 ? 117 TYR B CD2 1 ATOM 1296 C CE1 . TYR B 2 114 ? -1.439 -27.813 19.113 1.00 53.69 ? 117 TYR B CE1 1 ATOM 1297 C CE2 . TYR B 2 114 ? -0.224 -29.788 18.494 1.00 55.08 ? 117 TYR B CE2 1 ATOM 1298 C CZ . TYR B 2 114 ? -0.284 -28.581 19.160 1.00 54.28 ? 117 TYR B CZ 1 ATOM 1299 O OH . TYR B 2 114 ? 0.815 -28.152 19.865 1.00 53.62 ? 117 TYR B OH 1 ATOM 1300 N N . ILE B 2 115 ? -6.285 -32.314 17.570 1.00 37.16 ? 118 ILE B N 1 ATOM 1301 C CA . ILE B 2 115 ? -7.380 -32.993 16.920 1.00 34.11 ? 118 ILE B CA 1 ATOM 1302 C C . ILE B 2 115 ? -8.121 -33.741 17.982 1.00 31.38 ? 118 ILE B C 1 ATOM 1303 O O . ILE B 2 115 ? -7.602 -34.681 18.575 1.00 31.38 ? 118 ILE B O 1 ATOM 1304 C CB . ILE B 2 115 ? -6.882 -33.991 15.886 1.00 36.76 ? 118 ILE B CB 1 ATOM 1305 C CG1 . ILE B 2 115 ? -6.120 -33.252 14.783 1.00 37.00 ? 118 ILE B CG1 1 ATOM 1306 C CG2 . ILE B 2 115 ? -8.056 -34.792 15.344 1.00 36.82 ? 118 ILE B CG2 1 ATOM 1307 C CD1 . ILE B 2 115 ? -5.382 -34.160 13.820 1.00 41.16 ? 118 ILE B CD1 1 ATOM 1308 N N . HIS B 2 116 ? -9.339 -33.311 18.233 1.00 27.51 ? 119 HIS B N 1 ATOM 1309 C CA . HIS B 2 116 ? -10.156 -33.954 19.239 1.00 27.36 ? 119 HIS B CA 1 ATOM 1310 C C . HIS B 2 116 ? -11.564 -33.681 18.768 1.00 26.80 ? 119 HIS B C 1 ATOM 1311 O O . HIS B 2 116 ? -11.885 -32.560 18.406 1.00 29.38 ? 119 HIS B O 1 ATOM 1312 C CB . HIS B 2 116 ? -9.896 -33.301 20.582 1.00 28.49 ? 119 HIS B CB 1 ATOM 1313 C CG . HIS B 2 116 ? -10.428 -34.064 21.748 1.00 28.63 ? 119 HIS B CG 1 ATOM 1314 N ND1 . HIS B 2 116 ? -9.948 -35.303 22.112 1.00 29.30 ? 119 HIS B ND1 1 ATOM 1315 C CD2 . HIS B 2 116 ? -11.353 -33.736 22.674 1.00 31.37 ? 119 HIS B CD2 1 ATOM 1316 C CE1 . HIS B 2 116 ? -10.553 -35.699 23.215 1.00 31.98 ? 119 HIS B CE1 1 ATOM 1317 N NE2 . HIS B 2 116 ? -11.412 -34.764 23.580 1.00 32.41 ? 119 HIS B NE2 1 ATOM 1318 N N . PRO B 2 117 ? -12.427 -34.698 18.766 1.00 25.19 ? 120 PRO B N 1 ATOM 1319 C CA . PRO B 2 117 ? -13.810 -34.541 18.314 1.00 24.74 ? 120 PRO B CA 1 ATOM 1320 C C . PRO B 2 117 ? -14.673 -33.578 19.121 1.00 26.39 ? 120 PRO B C 1 ATOM 1321 O O . PRO B 2 117 ? -14.364 -33.272 20.268 1.00 27.96 ? 120 PRO B O 1 ATOM 1322 C CB . PRO B 2 117 ? -14.335 -35.966 18.373 1.00 24.89 ? 120 PRO B CB 1 ATOM 1323 C CG . PRO B 2 117 ? -13.630 -36.503 19.576 1.00 25.22 ? 120 PRO B CG 1 ATOM 1324 C CD . PRO B 2 117 ? -12.217 -36.028 19.356 1.00 24.42 ? 120 PRO B CD 1 ATOM 1325 N N . VAL B 2 118 ? -15.751 -33.095 18.504 1.00 27.19 ? 121 VAL B N 1 ATOM 1326 C CA . VAL B 2 118 ? -16.698 -32.199 19.165 1.00 27.63 ? 121 VAL B CA 1 ATOM 1327 C C . VAL B 2 118 ? -17.950 -33.014 19.483 1.00 29.79 ? 121 VAL B C 1 ATOM 1328 O O . VAL B 2 118 ? -18.218 -34.030 18.831 1.00 31.25 ? 121 VAL B O 1 ATOM 1329 C CB . VAL B 2 118 ? -17.142 -31.047 18.268 1.00 25.64 ? 121 VAL B CB 1 ATOM 1330 C CG1 . VAL B 2 118 ? -17.879 -31.602 17.063 1.00 22.02 ? 121 VAL B CG1 1 ATOM 1331 C CG2 . VAL B 2 118 ? -18.059 -30.113 19.044 1.00 24.68 ? 121 VAL B CG2 1 ATOM 1332 N N . CYS B 2 119 ? -18.724 -32.546 20.462 1.00 29.01 ? 122 CYS B N 1 ATOM 1333 C CA . CYS B 2 119 ? -19.949 -33.216 20.906 1.00 27.01 ? 122 CYS B CA 1 ATOM 1334 C C . CYS B 2 119 ? -21.248 -32.827 20.176 1.00 27.02 ? 122 CYS B C 1 ATOM 1335 O O . CYS B 2 119 ? -21.499 -31.641 19.924 1.00 28.40 ? 122 CYS B O 1 ATOM 1336 C CB . CYS B 2 119 ? -20.170 -32.936 22.385 1.00 26.21 ? 122 CYS B CB 1 ATOM 1337 S SG . CYS B 2 119 ? -18.879 -33.431 23.561 1.00 22.69 ? 122 CYS B SG 1 ATOM 1338 N N . LEU B 2 120 ? -22.075 -33.828 19.865 1.00 22.71 ? 123 LEU B N 1 ATOM 1339 C CA . LEU B 2 120 ? -23.367 -33.598 19.227 1.00 20.43 ? 123 LEU B CA 1 ATOM 1340 C C . LEU B 2 120 ? -24.362 -33.310 20.341 1.00 22.57 ? 123 LEU B C 1 ATOM 1341 O O . LEU B 2 120 ? -24.496 -34.092 21.271 1.00 24.14 ? 123 LEU B O 1 ATOM 1342 C CB . LEU B 2 120 ? -23.799 -34.828 18.453 1.00 16.82 ? 123 LEU B CB 1 ATOM 1343 C CG . LEU B 2 120 ? -22.975 -34.977 17.191 1.00 15.53 ? 123 LEU B CG 1 ATOM 1344 C CD1 . LEU B 2 120 ? -23.393 -36.183 16.396 1.00 16.29 ? 123 LEU B CD1 1 ATOM 1345 C CD2 . LEU B 2 120 ? -23.194 -33.749 16.371 1.00 18.99 ? 123 LEU B CD2 1 ATOM 1346 N N . PRO B 2 121 ? -25.098 -32.199 20.246 1.00 23.91 ? 124 PRO B N 1 ATOM 1347 C CA . PRO B 2 121 ? -26.067 -31.831 21.279 1.00 26.12 ? 124 PRO B CA 1 ATOM 1348 C C . PRO B 2 121 ? -27.140 -32.848 21.579 1.00 28.36 ? 124 PRO B C 1 ATOM 1349 O O . PRO B 2 121 ? -27.287 -33.838 20.874 1.00 28.38 ? 124 PRO B O 1 ATOM 1350 C CB . PRO B 2 121 ? -26.659 -30.545 20.739 1.00 28.60 ? 124 PRO B CB 1 ATOM 1351 C CG . PRO B 2 121 ? -26.715 -30.826 19.290 1.00 29.08 ? 124 PRO B CG 1 ATOM 1352 C CD . PRO B 2 121 ? -25.345 -31.425 19.018 1.00 26.87 ? 124 PRO B CD 1 ATOM 1353 N N . ASP B 2 122 ? -27.885 -32.577 22.645 1.00 33.33 ? 125 ASP B N 1 ATOM 1354 C CA . ASP B 2 122 ? -28.992 -33.418 23.080 1.00 39.49 ? 125 ASP B CA 1 ATOM 1355 C C . ASP B 2 122 ? -30.186 -32.514 23.407 1.00 42.85 ? 125 ASP B C 1 ATOM 1356 O O . ASP B 2 122 ? -30.013 -31.343 23.750 1.00 43.58 ? 125 ASP B O 1 ATOM 1357 C CB . ASP B 2 122 ? -28.586 -34.245 24.304 1.00 40.57 ? 125 ASP B CB 1 ATOM 1358 C CG . ASP B 2 122 ? -28.151 -33.384 25.476 1.00 43.90 ? 125 ASP B CG 1 ATOM 1359 O OD1 . ASP B 2 122 ? -27.618 -33.933 26.466 1.00 45.85 ? 125 ASP B OD1 1 ATOM 1360 O OD2 . ASP B 2 122 ? -28.346 -32.155 25.413 1.00 45.04 ? 125 ASP B OD2 1 ATOM 1361 N N . LYS B 2 123 ? -31.393 -33.057 23.288 1.00 45.30 ? 126 LYS B N 1 ATOM 1362 C CA . LYS B 2 123 ? -32.606 -32.295 23.551 1.00 47.55 ? 126 LYS B CA 1 ATOM 1363 C C . LYS B 2 123 ? -32.411 -31.366 24.736 1.00 48.56 ? 126 LYS B C 1 ATOM 1364 O O . LYS B 2 123 ? -32.803 -30.201 24.698 1.00 47.83 ? 126 LYS B O 1 ATOM 1365 C CB . LYS B 2 123 ? -33.774 -33.245 23.830 1.00 51.12 ? 126 LYS B CB 1 ATOM 1366 C CG . LYS B 2 123 ? -35.153 -32.580 23.828 1.00 55.29 ? 126 LYS B CG 1 ATOM 1367 C CD . LYS B 2 123 ? -36.258 -33.537 24.320 1.00 57.45 ? 126 LYS B CD 1 ATOM 1368 C CE . LYS B 2 123 ? -36.463 -34.741 23.397 1.00 55.55 ? 126 LYS B CE 1 ATOM 1369 N NZ . LYS B 2 123 ? -37.524 -35.653 23.911 1.00 53.30 ? 126 LYS B NZ 1 ATOM 1370 N N . GLN B 2 124 ? -31.783 -31.882 25.786 1.00 50.51 ? 127 GLN B N 1 ATOM 1371 C CA . GLN B 2 124 ? -31.557 -31.087 26.984 1.00 51.83 ? 127 GLN B CA 1 ATOM 1372 C C . GLN B 2 124 ? -30.634 -29.885 26.769 1.00 50.43 ? 127 GLN B C 1 ATOM 1373 O O . GLN B 2 124 ? -30.967 -28.772 27.173 1.00 51.67 ? 127 GLN B O 1 ATOM 1374 C CB . GLN B 2 124 ? -31.017 -31.971 28.111 1.00 53.88 ? 127 GLN B CB 1 ATOM 1375 C CG . GLN B 2 124 ? -30.950 -31.265 29.456 1.00 58.47 ? 127 GLN B CG 1 ATOM 1376 C CD . GLN B 2 124 ? -31.444 -32.137 30.600 1.00 62.56 ? 127 GLN B CD 1 ATOM 1377 O OE1 . GLN B 2 124 ? -30.962 -33.257 30.797 1.00 66.57 ? 127 GLN B OE1 1 ATOM 1378 N NE2 . GLN B 2 124 ? -32.412 -31.627 31.363 1.00 64.66 ? 127 GLN B NE2 1 ATOM 1379 N N . THR B 2 125 ? -29.487 -30.099 26.135 1.00 47.77 ? 128 THR B N 1 ATOM 1380 C CA . THR B 2 125 ? -28.545 -29.008 25.890 1.00 47.54 ? 128 THR B CA 1 ATOM 1381 C C . THR B 2 125 ? -29.078 -27.972 24.910 1.00 45.56 ? 128 THR B C 1 ATOM 1382 O O . THR B 2 125 ? -28.898 -26.767 25.100 1.00 45.70 ? 128 THR B O 1 ATOM 1383 C CB . THR B 2 125 ? -27.186 -29.546 25.369 1.00 48.78 ? 128 THR B CB 1 ATOM 1384 O OG1 . THR B 2 125 ? -26.367 -29.916 26.487 1.00 50.56 ? 128 THR B OG1 1 ATOM 1385 C CG2 . THR B 2 125 ? -26.459 -28.495 24.510 1.00 47.63 ? 128 THR B CG2 1 ATOM 1386 N N . VAL B 2 126 ? -29.736 -28.439 23.863 1.00 43.25 ? 129 VAL B N 1 ATOM 1387 C CA . VAL B 2 126 ? -30.269 -27.530 22.871 1.00 40.81 ? 129 VAL B CA 1 ATOM 1388 C C . VAL B 2 126 ? -31.234 -26.538 23.483 1.00 39.86 ? 129 VAL B C 1 ATOM 1389 O O . VAL B 2 126 ? -31.037 -25.332 23.383 1.00 40.70 ? 129 VAL B O 1 ATOM 1390 C CB . VAL B 2 126 ? -31.012 -28.275 21.772 1.00 41.72 ? 129 VAL B CB 1 ATOM 1391 C CG1 . VAL B 2 126 ? -31.486 -27.295 20.723 1.00 40.68 ? 129 VAL B CG1 1 ATOM 1392 C CG2 . VAL B 2 126 ? -30.110 -29.321 21.157 1.00 42.95 ? 129 VAL B CG2 1 ATOM 1393 N N . THR B 2 127 A -32.278 -27.052 24.124 1.00 37.70 ? 129 THR B N 1 ATOM 1394 C CA . THR B 2 127 A -33.304 -26.208 24.733 1.00 35.60 ? 129 THR B CA 1 ATOM 1395 C C . THR B 2 127 A -32.788 -25.107 25.654 1.00 33.87 ? 129 THR B C 1 ATOM 1396 O O . THR B 2 127 A -33.400 -24.049 25.766 1.00 32.85 ? 129 THR B O 1 ATOM 1397 C CB . THR B 2 127 A -34.320 -27.049 25.533 1.00 36.32 ? 129 THR B CB 1 ATOM 1398 O OG1 . THR B 2 127 A -33.669 -27.627 26.669 1.00 37.28 ? 129 THR B OG1 1 ATOM 1399 C CG2 . THR B 2 127 A -34.912 -28.149 24.660 1.00 35.45 ? 129 THR B CG2 1 ATOM 1400 N N . SER B 2 128 B -31.660 -25.344 26.304 1.00 32.44 ? 129 SER B N 1 ATOM 1401 C CA . SER B 2 128 B -31.127 -24.354 27.221 1.00 33.17 ? 129 SER B CA 1 ATOM 1402 C C . SER B 2 128 B -30.053 -23.405 26.668 1.00 33.77 ? 129 SER B C 1 ATOM 1403 O O . SER B 2 128 B -29.831 -22.331 27.238 1.00 35.68 ? 129 SER B O 1 ATOM 1404 C CB . SER B 2 128 B -30.561 -25.056 28.435 1.00 32.88 ? 129 SER B CB 1 ATOM 1405 O OG . SER B 2 128 B -29.337 -25.654 28.067 1.00 34.92 ? 129 SER B OG 1 ATOM 1406 N N . LEU B 2 129 C -29.380 -23.777 25.581 1.00 31.21 ? 129 LEU B N 1 ATOM 1407 C CA . LEU B 2 129 C -28.333 -22.912 25.032 1.00 30.01 ? 129 LEU B CA 1 ATOM 1408 C C . LEU B 2 129 C -28.661 -22.244 23.723 1.00 29.52 ? 129 LEU B C 1 ATOM 1409 O O . LEU B 2 129 C -28.194 -21.149 23.453 1.00 32.39 ? 129 LEU B O 1 ATOM 1410 C CB . LEU B 2 129 C -27.050 -23.696 24.841 1.00 29.15 ? 129 LEU B CB 1 ATOM 1411 C CG . LEU B 2 129 C -26.565 -24.231 26.173 1.00 31.69 ? 129 LEU B CG 1 ATOM 1412 C CD1 . LEU B 2 129 C -25.397 -25.182 25.985 1.00 34.84 ? 129 LEU B CD1 1 ATOM 1413 C CD2 . LEU B 2 129 C -26.182 -23.043 27.030 1.00 32.90 ? 129 LEU B CD2 1 ATOM 1414 N N . LEU B 2 130 ? -29.456 -22.917 22.905 1.00 28.03 ? 130 LEU B N 1 ATOM 1415 C CA . LEU B 2 130 ? -29.830 -22.413 21.593 1.00 22.90 ? 130 LEU B CA 1 ATOM 1416 C C . LEU B 2 130 ? -31.013 -21.470 21.658 1.00 21.85 ? 130 LEU B C 1 ATOM 1417 O O . LEU B 2 130 ? -32.097 -21.803 21.198 1.00 19.49 ? 130 LEU B O 1 ATOM 1418 C CB . LEU B 2 130 ? -30.189 -23.578 20.694 1.00 19.50 ? 130 LEU B CB 1 ATOM 1419 C CG . LEU B 2 130 ? -30.304 -23.158 19.250 1.00 16.74 ? 130 LEU B CG 1 ATOM 1420 C CD1 . LEU B 2 130 ? -28.908 -22.923 18.709 1.00 17.43 ? 130 LEU B CD1 1 ATOM 1421 C CD2 . LEU B 2 130 ? -31.007 -24.230 18.476 1.00 17.39 ? 130 LEU B CD2 1 ATOM 1422 N N . ARG B 2 131 ? -30.796 -20.289 22.216 1.00 23.30 ? 131 ARG B N 1 ATOM 1423 C CA . ARG B 2 131 ? -31.857 -19.308 22.350 1.00 25.50 ? 131 ARG B CA 1 ATOM 1424 C C . ARG B 2 131 ? -31.342 -17.909 22.056 1.00 24.96 ? 131 ARG B C 1 ATOM 1425 O O . ARG B 2 131 ? -30.183 -17.584 22.321 1.00 23.70 ? 131 ARG B O 1 ATOM 1426 C CB . ARG B 2 131 ? -32.448 -19.402 23.751 1.00 29.93 ? 131 ARG B CB 1 ATOM 1427 C CG . ARG B 2 131 ? -31.477 -20.017 24.745 1.00 36.45 ? 131 ARG B CG 1 ATOM 1428 C CD . ARG B 2 131 ? -32.168 -20.982 25.694 1.00 41.46 ? 131 ARG B CD 1 ATOM 1429 N NE . ARG B 2 131 ? -33.065 -20.303 26.628 1.00 44.80 ? 131 ARG B NE 1 ATOM 1430 C CZ . ARG B 2 131 ? -33.833 -20.928 27.517 1.00 46.80 ? 131 ARG B CZ 1 ATOM 1431 N NH1 . ARG B 2 131 ? -33.819 -22.252 27.596 1.00 46.79 ? 131 ARG B NH1 1 ATOM 1432 N NH2 . ARG B 2 131 ? -34.618 -20.229 28.329 1.00 48.65 ? 131 ARG B NH2 1 ATOM 1433 N N . ALA B 2 132 ? -32.225 -17.095 21.491 1.00 24.82 ? 132 ALA B N 1 ATOM 1434 C CA . ALA B 2 132 ? -31.912 -15.730 21.098 1.00 24.81 ? 132 ALA B CA 1 ATOM 1435 C C . ALA B 2 132 ? -31.125 -14.951 22.118 1.00 25.14 ? 132 ALA B C 1 ATOM 1436 O O . ALA B 2 132 ? -31.589 -14.738 23.237 1.00 24.80 ? 132 ALA B O 1 ATOM 1437 C CB . ALA B 2 132 ? -33.181 -14.992 20.780 1.00 27.94 ? 132 ALA B CB 1 ATOM 1438 N N . GLY B 2 133 ? -29.943 -14.498 21.714 1.00 25.76 ? 133 GLY B N 1 ATOM 1439 C CA . GLY B 2 133 ? -29.097 -13.736 22.615 1.00 29.48 ? 133 GLY B CA 1 ATOM 1440 C C . GLY B 2 133 ? -27.857 -14.522 22.992 1.00 31.39 ? 133 GLY B C 1 ATOM 1441 O O . GLY B 2 133 ? -26.749 -13.992 22.962 1.00 33.94 ? 133 GLY B O 1 ATOM 1442 N N . TYR B 2 134 ? -28.050 -15.786 23.357 1.00 30.63 ? 134 TYR B N 1 ATOM 1443 C CA . TYR B 2 134 ? -26.951 -16.670 23.717 1.00 29.44 ? 134 TYR B CA 1 ATOM 1444 C C . TYR B 2 134 ? -25.940 -16.684 22.577 1.00 28.59 ? 134 TYR B C 1 ATOM 1445 O O . TYR B 2 134 ? -26.298 -16.926 21.429 1.00 29.79 ? 134 TYR B O 1 ATOM 1446 C CB . TYR B 2 134 ? -27.481 -18.079 23.929 1.00 31.73 ? 134 TYR B CB 1 ATOM 1447 C CG . TYR B 2 134 ? -28.313 -18.260 25.172 1.00 34.33 ? 134 TYR B CG 1 ATOM 1448 C CD1 . TYR B 2 134 ? -29.220 -17.288 25.574 1.00 35.52 ? 134 TYR B CD1 1 ATOM 1449 C CD2 . TYR B 2 134 ? -28.206 -19.426 25.940 1.00 35.84 ? 134 TYR B CD2 1 ATOM 1450 C CE1 . TYR B 2 134 ? -30.010 -17.472 26.710 1.00 38.48 ? 134 TYR B CE1 1 ATOM 1451 C CE2 . TYR B 2 134 ? -28.991 -19.623 27.074 1.00 36.18 ? 134 TYR B CE2 1 ATOM 1452 C CZ . TYR B 2 134 ? -29.887 -18.640 27.456 1.00 37.75 ? 134 TYR B CZ 1 ATOM 1453 O OH . TYR B 2 134 ? -30.662 -18.823 28.574 1.00 37.43 ? 134 TYR B OH 1 ATOM 1454 N N . LYS B 2 135 ? -24.676 -16.438 22.888 1.00 27.54 ? 135 LYS B N 1 ATOM 1455 C CA . LYS B 2 135 ? -23.657 -16.409 21.856 1.00 27.29 ? 135 LYS B CA 1 ATOM 1456 C C . LYS B 2 135 ? -23.089 -17.787 21.588 1.00 25.67 ? 135 LYS B C 1 ATOM 1457 O O . LYS B 2 135 ? -23.070 -18.647 22.464 1.00 24.26 ? 135 LYS B O 1 ATOM 1458 C CB . LYS B 2 135 ? -22.532 -15.458 22.259 1.00 32.28 ? 135 LYS B CB 1 ATOM 1459 C CG . LYS B 2 135 ? -22.976 -14.015 22.508 1.00 36.95 ? 135 LYS B CG 1 ATOM 1460 C CD . LYS B 2 135 ? -21.836 -13.161 23.090 1.00 41.97 ? 135 LYS B CD 1 ATOM 1461 C CE . LYS B 2 135 ? -22.193 -11.676 23.130 1.00 44.25 ? 135 LYS B CE 1 ATOM 1462 N NZ . LYS B 2 135 ? -21.009 -10.829 23.457 1.00 45.93 ? 135 LYS B NZ 1 ATOM 1463 N N . GLY B 2 136 ? -22.637 -17.985 20.356 1.00 24.50 ? 136 GLY B N 1 ATOM 1464 C CA . GLY B 2 136 ? -22.052 -19.249 19.958 1.00 24.00 ? 136 GLY B CA 1 ATOM 1465 C C . GLY B 2 136 ? -20.770 -18.887 19.249 1.00 22.73 ? 136 GLY B C 1 ATOM 1466 O O . GLY B 2 136 ? -20.481 -17.693 19.116 1.00 22.90 ? 136 GLY B O 1 ATOM 1467 N N . ARG B 2 137 ? -20.008 -19.888 18.801 1.00 19.47 ? 137 ARG B N 1 ATOM 1468 C CA . ARG B 2 137 ? -18.750 -19.641 18.098 1.00 14.49 ? 137 ARG B CA 1 ATOM 1469 C C . ARG B 2 137 ? -18.676 -20.388 16.753 1.00 8.70 ? 137 ARG B C 1 ATOM 1470 O O . ARG B 2 137 ? -19.301 -21.428 16.585 1.00 6.37 ? 137 ARG B O 1 ATOM 1471 C CB . ARG B 2 137 ? -17.580 -20.023 19.003 1.00 15.09 ? 137 ARG B CB 1 ATOM 1472 C CG . ARG B 2 137 ? -16.229 -19.667 18.437 1.00 18.86 ? 137 ARG B CG 1 ATOM 1473 C CD . ARG B 2 137 ? -15.140 -20.233 19.310 1.00 22.72 ? 137 ARG B CD 1 ATOM 1474 N NE . ARG B 2 137 ? -14.814 -19.345 20.418 1.00 26.04 ? 137 ARG B NE 1 ATOM 1475 C CZ . ARG B 2 137 ? -14.113 -19.714 21.488 1.00 27.79 ? 137 ARG B CZ 1 ATOM 1476 N NH1 . ARG B 2 137 ? -13.667 -20.967 21.603 1.00 24.13 ? 137 ARG B NH1 1 ATOM 1477 N NH2 . ARG B 2 137 ? -13.839 -18.820 22.434 1.00 28.06 ? 137 ARG B NH2 1 ATOM 1478 N N . VAL B 2 138 ? -17.921 -19.837 15.804 1.00 4.93 ? 138 VAL B N 1 ATOM 1479 C CA . VAL B 2 138 ? -17.759 -20.406 14.461 1.00 5.35 ? 138 VAL B CA 1 ATOM 1480 C C . VAL B 2 138 ? -16.303 -20.283 14.054 1.00 7.28 ? 138 VAL B C 1 ATOM 1481 O O . VAL B 2 138 ? -15.637 -19.350 14.461 1.00 15.06 ? 138 VAL B O 1 ATOM 1482 C CB . VAL B 2 138 ? -18.564 -19.610 13.421 1.00 4.93 ? 138 VAL B CB 1 ATOM 1483 C CG1 . VAL B 2 138 ? -18.384 -20.208 12.038 1.00 4.93 ? 138 VAL B CG1 1 ATOM 1484 C CG2 . VAL B 2 138 ? -20.012 -19.570 13.812 1.00 4.93 ? 138 VAL B CG2 1 ATOM 1485 N N . THR B 2 139 ? -15.798 -21.182 13.229 1.00 4.93 ? 139 THR B N 1 ATOM 1486 C CA . THR B 2 139 ? -14.405 -21.067 12.840 1.00 7.65 ? 139 THR B CA 1 ATOM 1487 C C . THR B 2 139 ? -14.147 -21.538 11.430 1.00 8.76 ? 139 THR B C 1 ATOM 1488 O O . THR B 2 139 ? -14.773 -22.470 10.955 1.00 7.93 ? 139 THR B O 1 ATOM 1489 C CB . THR B 2 139 ? -13.509 -21.854 13.794 1.00 9.67 ? 139 THR B CB 1 ATOM 1490 O OG1 . THR B 2 139 ? -13.973 -23.205 13.884 1.00 11.96 ? 139 THR B OG1 1 ATOM 1491 C CG2 . THR B 2 139 ? -13.537 -21.240 15.173 1.00 10.18 ? 139 THR B CG2 1 ATOM 1492 N N . GLY B 2 140 ? -13.208 -20.898 10.756 1.00 13.39 ? 140 GLY B N 1 ATOM 1493 C CA . GLY B 2 140 ? -12.920 -21.299 9.391 1.00 20.42 ? 140 GLY B CA 1 ATOM 1494 C C . GLY B 2 140 ? -11.870 -20.469 8.674 1.00 24.14 ? 140 GLY B C 1 ATOM 1495 O O . GLY B 2 140 ? -11.419 -19.428 9.159 1.00 26.76 ? 140 GLY B O 1 ATOM 1496 N N . TRP B 2 141 ? -11.487 -20.938 7.496 1.00 24.83 ? 141 TRP B N 1 ATOM 1497 C CA . TRP B 2 141 ? -10.486 -20.264 6.694 1.00 26.46 ? 141 TRP B CA 1 ATOM 1498 C C . TRP B 2 141 ? -11.155 -19.493 5.566 1.00 28.63 ? 141 TRP B C 1 ATOM 1499 O O . TRP B 2 141 ? -10.527 -19.196 4.551 1.00 28.36 ? 141 TRP B O 1 ATOM 1500 C CB . TRP B 2 141 ? -9.524 -21.313 6.137 1.00 26.61 ? 141 TRP B CB 1 ATOM 1501 C CG . TRP B 2 141 ? -8.813 -22.080 7.221 1.00 27.20 ? 141 TRP B CG 1 ATOM 1502 C CD1 . TRP B 2 141 ? -7.762 -21.644 7.974 1.00 29.35 ? 141 TRP B CD1 1 ATOM 1503 C CD2 . TRP B 2 141 ? -9.137 -23.386 7.712 1.00 26.17 ? 141 TRP B CD2 1 ATOM 1504 N NE1 . TRP B 2 141 ? -7.413 -22.591 8.903 1.00 29.39 ? 141 TRP B NE1 1 ATOM 1505 C CE2 . TRP B 2 141 ? -8.240 -23.670 8.763 1.00 27.49 ? 141 TRP B CE2 1 ATOM 1506 C CE3 . TRP B 2 141 ? -10.098 -24.341 7.367 1.00 25.34 ? 141 TRP B CE3 1 ATOM 1507 C CZ2 . TRP B 2 141 ? -8.279 -24.868 9.474 1.00 27.42 ? 141 TRP B CZ2 1 ATOM 1508 C CZ3 . TRP B 2 141 ? -10.135 -25.534 8.079 1.00 24.93 ? 141 TRP B CZ3 1 ATOM 1509 C CH2 . TRP B 2 141 ? -9.231 -25.786 9.117 1.00 26.07 ? 141 TRP B CH2 1 ATOM 1510 N N . GLY B 2 142 ? -12.430 -19.167 5.761 1.00 31.31 ? 142 GLY B N 1 ATOM 1511 C CA . GLY B 2 142 ? -13.197 -18.457 4.748 1.00 32.31 ? 142 GLY B CA 1 ATOM 1512 C C . GLY B 2 142 ? -12.805 -17.010 4.553 1.00 32.55 ? 142 GLY B C 1 ATOM 1513 O O . GLY B 2 142 ? -11.950 -16.506 5.267 1.00 34.44 ? 142 GLY B O 1 ATOM 1514 N N . ASN B 2 143 ? -13.431 -16.343 3.591 1.00 33.61 ? 143 ASN B N 1 ATOM 1515 C CA . ASN B 2 143 ? -13.133 -14.946 3.313 1.00 38.01 ? 143 ASN B CA 1 ATOM 1516 C C . ASN B 2 143 ? -13.261 -14.032 4.524 1.00 39.41 ? 143 ASN B C 1 ATOM 1517 O O . ASN B 2 143 ? -14.188 -14.169 5.318 1.00 38.79 ? 143 ASN B O 1 ATOM 1518 C CB . ASN B 2 143 ? -14.049 -14.422 2.211 1.00 40.24 ? 143 ASN B CB 1 ATOM 1519 C CG . ASN B 2 143 ? -13.874 -15.166 0.917 1.00 44.62 ? 143 ASN B CG 1 ATOM 1520 O OD1 . ASN B 2 143 ? -12.871 -15.863 0.721 1.00 47.34 ? 143 ASN B OD1 1 ATOM 1521 N ND2 . ASN B 2 143 ? -14.844 -15.022 0.013 1.00 45.72 ? 143 ASN B ND2 1 ATOM 1522 N N . LEU B 2 144 ? -12.327 -13.092 4.648 1.00 41.74 ? 144 LEU B N 1 ATOM 1523 C CA . LEU B 2 144 ? -12.332 -12.133 5.746 1.00 44.11 ? 144 LEU B CA 1 ATOM 1524 C C . LEU B 2 144 ? -13.374 -11.040 5.535 1.00 45.57 ? 144 LEU B C 1 ATOM 1525 O O . LEU B 2 144 ? -13.717 -10.319 6.466 1.00 44.77 ? 144 LEU B O 1 ATOM 1526 C CB . LEU B 2 144 ? -10.956 -11.497 5.899 1.00 45.82 ? 144 LEU B CB 1 ATOM 1527 C CG . LEU B 2 144 ? -9.834 -12.459 6.291 1.00 48.83 ? 144 LEU B CG 1 ATOM 1528 C CD1 . LEU B 2 144 ? -8.550 -11.672 6.428 1.00 53.83 ? 144 LEU B CD1 1 ATOM 1529 C CD2 . LEU B 2 144 ? -10.150 -13.154 7.603 1.00 48.88 ? 144 LEU B CD2 1 ATOM 1530 N N . ARG B 2 145 ? -13.860 -10.914 4.303 1.00 49.02 ? 145 ARG B N 1 ATOM 1531 C CA . ARG B 2 145 ? -14.888 -9.935 3.967 1.00 51.40 ? 145 ARG B CA 1 ATOM 1532 C C . ARG B 2 145 ? -15.634 -10.355 2.709 1.00 50.98 ? 145 ARG B C 1 ATOM 1533 O O . ARG B 2 145 ? -15.093 -11.035 1.838 1.00 49.88 ? 145 ARG B O 1 ATOM 1534 C CB . ARG B 2 145 ? -14.289 -8.551 3.742 1.00 55.32 ? 145 ARG B CB 1 ATOM 1535 C CG . ARG B 2 145 ? -13.630 -8.362 2.384 1.00 63.00 ? 145 ARG B CG 1 ATOM 1536 C CD . ARG B 2 145 ? -13.460 -6.875 2.075 1.00 70.25 ? 145 ARG B CD 1 ATOM 1537 N NE . ARG B 2 145 ? -12.822 -6.633 0.783 1.00 75.71 ? 145 ARG B NE 1 ATOM 1538 C CZ . ARG B 2 145 ? -12.542 -5.423 0.301 1.00 77.86 ? 145 ARG B CZ 1 ATOM 1539 N NH1 . ARG B 2 145 ? -12.842 -4.335 1.002 1.00 78.54 ? 145 ARG B NH1 1 ATOM 1540 N NH2 . ARG B 2 145 ? -11.962 -5.303 -0.883 1.00 78.55 ? 145 ARG B NH2 1 ATOM 1541 N N . GLU B 2 146 ? -16.885 -9.939 2.619 1.00 51.24 ? 146 GLU B N 1 ATOM 1542 C CA . GLU B 2 146 ? -17.700 -10.269 1.468 1.00 52.91 ? 146 GLU B CA 1 ATOM 1543 C C . GLU B 2 146 ? -17.058 -9.837 0.165 1.00 55.75 ? 146 GLU B C 1 ATOM 1544 O O . GLU B 2 146 ? -16.971 -10.614 -0.779 1.00 54.63 ? 146 GLU B O 1 ATOM 1545 C CB . GLU B 2 146 ? -19.062 -9.592 1.579 1.00 51.40 ? 146 GLU B CB 1 ATOM 1546 C CG . GLU B 2 146 ? -19.891 -9.707 0.315 1.00 49.97 ? 146 GLU B CG 1 ATOM 1547 C CD . GLU B 2 146 ? -21.177 -8.915 0.368 1.00 48.07 ? 146 GLU B CD 1 ATOM 1548 O OE1 . GLU B 2 146 ? -21.931 -8.977 -0.622 1.00 46.93 ? 146 GLU B OE1 1 ATOM 1549 O OE2 . GLU B 2 146 ? -21.432 -8.235 1.384 1.00 46.62 ? 146 GLU B OE2 1 ATOM 1550 N N . THR B 2 147 ? -16.607 -8.588 0.123 1.00 62.18 ? 147 THR B N 1 ATOM 1551 C CA . THR B 2 147 ? -16.023 -8.033 -1.090 1.00 68.83 ? 147 THR B CA 1 ATOM 1552 C C . THR B 2 147 ? -14.542 -8.274 -1.383 1.00 71.19 ? 147 THR B C 1 ATOM 1553 O O . THR B 2 147 ? -13.783 -8.783 -0.561 1.00 71.10 ? 147 THR B O 1 ATOM 1554 C CB . THR B 2 147 ? -16.319 -6.513 -1.195 1.00 71.25 ? 147 THR B CB 1 ATOM 1555 O OG1 . THR B 2 147 ? -15.805 -6.010 -2.435 1.00 74.60 ? 147 THR B OG1 1 ATOM 1556 C CG2 . THR B 2 147 ? -15.697 -5.751 -0.032 1.00 70.79 ? 147 THR B CG2 1 ATOM 1557 N N . TRP B 2 148 ? -14.166 -7.857 -2.585 1.00 74.85 ? 148 TRP B N 1 ATOM 1558 C CA . TRP B 2 148 ? -12.838 -8.018 -3.162 1.00 79.49 ? 148 TRP B CA 1 ATOM 1559 C C . TRP B 2 148 ? -12.355 -6.646 -3.651 1.00 82.75 ? 148 TRP B C 1 ATOM 1560 O O . TRP B 2 148 ? -13.030 -6.025 -4.476 1.00 81.88 ? 148 TRP B O 1 ATOM 1561 C CB . TRP B 2 148 ? -13.027 -8.899 -4.388 1.00 82.01 ? 148 TRP B CB 1 ATOM 1562 C CG . TRP B 2 148 ? -12.058 -9.967 -4.714 1.00 83.93 ? 148 TRP B CG 1 ATOM 1563 C CD1 . TRP B 2 148 ? -10.693 -9.892 -4.723 1.00 84.33 ? 148 TRP B CD1 1 ATOM 1564 C CD2 . TRP B 2 148 ? -12.393 -11.229 -5.300 1.00 84.16 ? 148 TRP B CD2 1 ATOM 1565 N NE1 . TRP B 2 148 ? -10.164 -11.025 -5.302 1.00 84.16 ? 148 TRP B NE1 1 ATOM 1566 C CE2 . TRP B 2 148 ? -11.188 -11.857 -5.669 1.00 84.57 ? 148 TRP B CE2 1 ATOM 1567 C CE3 . TRP B 2 148 ? -13.610 -11.874 -5.571 1.00 84.14 ? 148 TRP B CE3 1 ATOM 1568 C CZ2 . TRP B 2 148 ? -11.159 -13.115 -6.281 1.00 85.48 ? 148 TRP B CZ2 1 ATOM 1569 C CZ3 . TRP B 2 148 ? -13.580 -13.122 -6.181 1.00 84.68 ? 148 TRP B CZ3 1 ATOM 1570 C CH2 . TRP B 2 148 ? -12.363 -13.725 -6.536 1.00 85.74 ? 148 TRP B CH2 1 ATOM 1571 N N . THR B 2 149 ? -11.213 -6.145 -3.169 1.00 86.56 ? 149 THR B N 1 ATOM 1572 C CA . THR B 2 149 ? -10.727 -4.868 -3.707 1.00 90.26 ? 149 THR B CA 1 ATOM 1573 C C . THR B 2 149 ? -9.988 -5.335 -4.964 1.00 91.33 ? 149 THR B C 1 ATOM 1574 O O . THR B 2 149 ? -8.886 -4.889 -5.300 1.00 90.82 ? 149 THR B O 1 ATOM 1575 C CB . THR B 2 149 ? -9.778 -4.103 -2.729 1.00 92.03 ? 149 THR B CB 1 ATOM 1576 O OG1 . THR B 2 149 ? -10.541 -3.549 -1.644 1.00 91.48 ? 149 THR B OG1 1 ATOM 1577 C CG2 . THR B 2 149 ? -9.075 -2.947 -3.454 1.00 92.51 ? 149 THR B CG2 1 ATOM 1578 N N . THR B 2 150 A -10.660 -6.281 -5.609 1.00 93.19 ? 149 THR B N 1 ATOM 1579 C CA . THR B 2 150 A -10.298 -6.975 -6.841 1.00 96.63 ? 149 THR B CA 1 ATOM 1580 C C . THR B 2 150 A -8.858 -7.065 -7.362 1.00 97.80 ? 149 THR B C 1 ATOM 1581 O O . THR B 2 150 A -8.414 -8.164 -7.710 1.00 98.11 ? 149 THR B O 1 ATOM 1582 C CB . THR B 2 150 A -11.236 -6.508 -7.978 1.00 97.29 ? 149 THR B CB 1 ATOM 1583 O OG1 . THR B 2 150 A -11.170 -5.082 -8.124 1.00 100.61 ? 149 THR B OG1 1 ATOM 1584 C CG2 . THR B 2 150 A -12.667 -6.903 -7.640 1.00 96.82 ? 149 THR B CG2 1 ATOM 1585 N N . ASN B 2 151 B -8.124 -5.957 -7.437 1.00 98.46 ? 149 ASN B N 1 ATOM 1586 C CA . ASN B 2 151 B -6.746 -6.037 -7.923 1.00 98.10 ? 149 ASN B CA 1 ATOM 1587 C C . ASN B 2 151 B -5.969 -6.813 -6.865 1.00 97.31 ? 149 ASN B C 1 ATOM 1588 O O . ASN B 2 151 B -4.764 -7.048 -6.993 1.00 97.51 ? 149 ASN B O 1 ATOM 1589 C CB . ASN B 2 151 B -6.139 -4.640 -8.112 1.00 99.57 ? 149 ASN B CB 1 ATOM 1590 C CG . ASN B 2 151 B -4.973 -4.636 -9.101 1.00 99.80 ? 149 ASN B CG 1 ATOM 1591 O OD1 . ASN B 2 151 B -5.139 -5.004 -10.268 1.00 99.84 ? 149 ASN B OD1 1 ATOM 1592 N ND2 . ASN B 2 151 B -3.793 -4.217 -8.642 1.00 98.63 ? 149 ASN B ND2 1 ATOM 1593 N N . ILE B 2 152 C -6.698 -7.212 -5.821 1.00 95.60 ? 149 ILE B N 1 ATOM 1594 C CA . ILE B 2 152 C -6.157 -7.963 -4.692 1.00 93.70 ? 149 ILE B CA 1 ATOM 1595 C C . ILE B 2 152 C -7.145 -9.041 -4.224 1.00 91.04 ? 149 ILE B C 1 ATOM 1596 O O . ILE B 2 152 C -8.175 -8.710 -3.628 1.00 91.63 ? 149 ILE B O 1 ATOM 1597 C CB . ILE B 2 152 C -5.882 -7.022 -3.479 1.00 93.96 ? 149 ILE B CB 1 ATOM 1598 C CG1 . ILE B 2 152 C -4.813 -5.983 -3.844 1.00 94.09 ? 149 ILE B CG1 1 ATOM 1599 C CG2 . ILE B 2 152 C -5.482 -7.846 -2.254 1.00 93.29 ? 149 ILE B CG2 1 ATOM 1600 C CD1 . ILE B 2 152 C -3.440 -6.569 -4.196 1.00 94.96 ? 149 ILE B CD1 1 ATOM 1601 N N . ASN B 2 153 D -6.851 -10.315 -4.491 1.00 85.87 ? 149 ASN B N 1 ATOM 1602 C CA . ASN B 2 153 D -7.741 -11.381 -4.025 1.00 80.87 ? 149 ASN B CA 1 ATOM 1603 C C . ASN B 2 153 D -7.298 -11.859 -2.649 1.00 76.92 ? 149 ASN B C 1 ATOM 1604 O O . ASN B 2 153 D -7.625 -12.968 -2.212 1.00 75.63 ? 149 ASN B O 1 ATOM 1605 C CB . ASN B 2 153 D -7.768 -12.573 -4.987 1.00 80.46 ? 149 ASN B CB 1 ATOM 1606 C CG . ASN B 2 153 D -8.593 -13.744 -4.437 1.00 78.66 ? 149 ASN B CG 1 ATOM 1607 O OD1 . ASN B 2 153 D -9.661 -13.546 -3.851 1.00 75.29 ? 149 ASN B OD1 1 ATOM 1608 N ND2 . ASN B 2 153 D -8.096 -14.963 -4.621 1.00 78.62 ? 149 ASN B ND2 1 ATOM 1609 N N . GLU B 2 154 E -6.547 -11.007 -1.964 1.00 72.45 ? 149 GLU B N 1 ATOM 1610 C CA . GLU B 2 154 E -6.062 -11.357 -0.647 1.00 68.29 ? 149 GLU B CA 1 ATOM 1611 C C . GLU B 2 154 E -6.950 -10.861 0.487 1.00 63.17 ? 149 GLU B C 1 ATOM 1612 O O . GLU B 2 154 E -6.750 -9.783 1.053 1.00 61.39 ? 149 GLU B O 1 ATOM 1613 C CB . GLU B 2 154 E -4.614 -10.884 -0.480 1.00 71.36 ? 149 GLU B CB 1 ATOM 1614 C CG . GLU B 2 154 E -3.586 -12.013 -0.652 1.00 73.02 ? 149 GLU B CG 1 ATOM 1615 C CD . GLU B 2 154 E -3.852 -12.888 -1.872 1.00 74.32 ? 149 GLU B CD 1 ATOM 1616 O OE1 . GLU B 2 154 E -4.889 -13.593 -1.901 1.00 73.72 ? 149 GLU B OE1 1 ATOM 1617 O OE2 . GLU B 2 154 E -3.018 -12.867 -2.803 1.00 76.44 ? 149 GLU B OE2 1 ATOM 1618 N N . ILE B 2 155 ? -7.951 -11.680 0.783 1.00 56.71 ? 150 ILE B N 1 ATOM 1619 C CA . ILE B 2 155 ? -8.896 -11.439 1.850 1.00 51.97 ? 150 ILE B CA 1 ATOM 1620 C C . ILE B 2 155 ? -9.021 -12.773 2.560 1.00 49.89 ? 150 ILE B C 1 ATOM 1621 O O . ILE B 2 155 ? -9.825 -12.944 3.470 1.00 49.19 ? 150 ILE B O 1 ATOM 1622 C CB . ILE B 2 155 ? -10.256 -11.052 1.320 1.00 51.19 ? 150 ILE B CB 1 ATOM 1623 C CG1 . ILE B 2 155 ? -10.749 -12.126 0.360 1.00 50.66 ? 150 ILE B CG1 1 ATOM 1624 C CG2 . ILE B 2 155 ? -10.175 -9.703 0.649 1.00 53.59 ? 150 ILE B CG2 1 ATOM 1625 C CD1 . ILE B 2 155 ? -12.210 -11.998 0.025 1.00 52.61 ? 150 ILE B CD1 1 ATOM 1626 N N . GLN B 2 156 ? -8.233 -13.737 2.108 1.00 48.58 ? 151 GLN B N 1 ATOM 1627 C CA . GLN B 2 156 ? -8.245 -15.040 2.736 1.00 47.00 ? 151 GLN B CA 1 ATOM 1628 C C . GLN B 2 156 ? -7.175 -15.041 3.810 1.00 43.69 ? 151 GLN B C 1 ATOM 1629 O O . GLN B 2 156 ? -6.007 -14.744 3.555 1.00 46.05 ? 151 GLN B O 1 ATOM 1630 C CB . GLN B 2 156 ? -8.014 -16.166 1.714 1.00 48.71 ? 151 GLN B CB 1 ATOM 1631 C CG . GLN B 2 156 ? -7.257 -15.778 0.447 1.00 52.32 ? 151 GLN B CG 1 ATOM 1632 C CD . GLN B 2 156 ? -7.387 -16.827 -0.655 1.00 53.25 ? 151 GLN B CD 1 ATOM 1633 O OE1 . GLN B 2 156 ? -6.831 -16.672 -1.745 1.00 55.18 ? 151 GLN B OE1 1 ATOM 1634 N NE2 . GLN B 2 156 ? -8.126 -17.900 -0.372 1.00 51.41 ? 151 GLN B NE2 1 ATOM 1635 N N . PRO B 2 157 ? -7.576 -15.352 5.041 1.00 39.36 ? 152 PRO B N 1 ATOM 1636 C CA . PRO B 2 157 ? -6.700 -15.405 6.207 1.00 38.42 ? 152 PRO B CA 1 ATOM 1637 C C . PRO B 2 157 ? -5.514 -16.333 6.007 1.00 37.62 ? 152 PRO B C 1 ATOM 1638 O O . PRO B 2 157 ? -5.493 -17.133 5.070 1.00 36.11 ? 152 PRO B O 1 ATOM 1639 C CB . PRO B 2 157 ? -7.639 -15.885 7.306 1.00 38.91 ? 152 PRO B CB 1 ATOM 1640 C CG . PRO B 2 157 ? -8.631 -16.722 6.558 1.00 36.95 ? 152 PRO B CG 1 ATOM 1641 C CD . PRO B 2 157 ? -8.915 -15.857 5.379 1.00 37.75 ? 152 PRO B CD 1 ATOM 1642 N N . SER B 2 158 ? -4.526 -16.218 6.887 1.00 37.21 ? 153 SER B N 1 ATOM 1643 C CA . SER B 2 158 ? -3.343 -17.064 6.809 1.00 37.47 ? 153 SER B CA 1 ATOM 1644 C C . SER B 2 158 ? -3.527 -18.157 7.836 1.00 35.58 ? 153 SER B C 1 ATOM 1645 O O . SER B 2 158 ? -2.890 -19.210 7.773 1.00 36.72 ? 153 SER B O 1 ATOM 1646 C CB . SER B 2 158 ? -2.073 -16.270 7.134 1.00 39.67 ? 153 SER B CB 1 ATOM 1647 O OG . SER B 2 158 ? -1.984 -15.993 8.523 1.00 41.16 ? 153 SER B OG 1 ATOM 1648 N N . VAL B 2 159 ? -4.404 -17.896 8.792 1.00 32.68 ? 154 VAL B N 1 ATOM 1649 C CA . VAL B 2 159 ? -4.659 -18.870 9.827 1.00 32.58 ? 154 VAL B CA 1 ATOM 1650 C C . VAL B 2 159 ? -6.115 -18.928 10.210 1.00 32.00 ? 154 VAL B C 1 ATOM 1651 O O . VAL B 2 159 ? -6.837 -17.940 10.106 1.00 32.90 ? 154 VAL B O 1 ATOM 1652 C CB . VAL B 2 159 ? -3.851 -18.575 11.089 1.00 33.31 ? 154 VAL B CB 1 ATOM 1653 C CG1 . VAL B 2 159 ? -4.242 -19.551 12.189 1.00 32.97 ? 154 VAL B CG1 1 ATOM 1654 C CG2 . VAL B 2 159 ? -2.366 -18.695 10.788 1.00 36.19 ? 154 VAL B CG2 1 ATOM 1655 N N . LEU B 2 160 ? -6.529 -20.104 10.660 1.00 31.13 ? 155 LEU B N 1 ATOM 1656 C CA . LEU B 2 160 ? -7.892 -20.346 11.083 1.00 29.62 ? 155 LEU B CA 1 ATOM 1657 C C . LEU B 2 160 ? -8.439 -19.157 11.856 1.00 28.46 ? 155 LEU B C 1 ATOM 1658 O O . LEU B 2 160 ? -7.849 -18.699 12.834 1.00 30.10 ? 155 LEU B O 1 ATOM 1659 C CB . LEU B 2 160 ? -7.945 -21.604 11.951 1.00 30.33 ? 155 LEU B CB 1 ATOM 1660 C CG . LEU B 2 160 ? -9.324 -22.006 12.462 1.00 30.32 ? 155 LEU B CG 1 ATOM 1661 C CD1 . LEU B 2 160 ? -10.261 -22.160 11.280 1.00 31.17 ? 155 LEU B CD1 1 ATOM 1662 C CD2 . LEU B 2 160 ? -9.224 -23.298 13.264 1.00 28.72 ? 155 LEU B CD2 1 ATOM 1663 N N . GLN B 2 161 ? -9.566 -18.650 11.396 1.00 26.53 ? 156 GLN B N 1 ATOM 1664 C CA . GLN B 2 161 ? -10.201 -17.530 12.049 1.00 25.78 ? 156 GLN B CA 1 ATOM 1665 C C . GLN B 2 161 ? -11.202 -18.065 13.060 1.00 25.94 ? 156 GLN B C 1 ATOM 1666 O O . GLN B 2 161 ? -11.477 -19.268 13.101 1.00 27.19 ? 156 GLN B O 1 ATOM 1667 C CB . GLN B 2 161 ? -10.914 -16.679 11.005 1.00 27.11 ? 156 GLN B CB 1 ATOM 1668 C CG . GLN B 2 161 ? -9.959 -15.960 10.118 1.00 29.13 ? 156 GLN B CG 1 ATOM 1669 C CD . GLN B 2 161 ? -9.121 -14.999 10.910 1.00 32.94 ? 156 GLN B CD 1 ATOM 1670 O OE1 . GLN B 2 161 ? -9.554 -13.885 11.212 1.00 34.31 ? 156 GLN B OE1 1 ATOM 1671 N NE2 . GLN B 2 161 ? -7.920 -15.430 11.283 1.00 36.09 ? 156 GLN B NE2 1 ATOM 1672 N N . VAL B 2 162 ? -11.740 -17.165 13.876 1.00 23.70 ? 157 VAL B N 1 ATOM 1673 C CA . VAL B 2 162 ? -12.742 -17.512 14.874 1.00 20.15 ? 157 VAL B CA 1 ATOM 1674 C C . VAL B 2 162 ? -13.527 -16.277 15.241 1.00 21.01 ? 157 VAL B C 1 ATOM 1675 O O . VAL B 2 162 ? -12.956 -15.220 15.510 1.00 23.28 ? 157 VAL B O 1 ATOM 1676 C CB . VAL B 2 162 ? -12.113 -18.060 16.148 1.00 18.41 ? 157 VAL B CB 1 ATOM 1677 C CG1 . VAL B 2 162 ? -10.902 -17.249 16.494 1.00 18.28 ? 157 VAL B CG1 1 ATOM 1678 C CG2 . VAL B 2 162 ? -13.118 -18.003 17.291 1.00 15.43 ? 157 VAL B CG2 1 ATOM 1679 N N . VAL B 2 163 ? -14.841 -16.410 15.249 1.00 20.64 ? 158 VAL B N 1 ATOM 1680 C CA . VAL B 2 163 ? -15.685 -15.295 15.609 1.00 22.89 ? 158 VAL B CA 1 ATOM 1681 C C . VAL B 2 163 ? -16.793 -15.756 16.534 1.00 24.24 ? 158 VAL B C 1 ATOM 1682 O O . VAL B 2 163 ? -17.326 -16.847 16.362 1.00 24.63 ? 158 VAL B O 1 ATOM 1683 C CB . VAL B 2 163 ? -16.319 -14.679 14.387 1.00 21.87 ? 158 VAL B CB 1 ATOM 1684 C CG1 . VAL B 2 163 ? -17.240 -15.675 13.739 1.00 17.81 ? 158 VAL B CG1 1 ATOM 1685 C CG2 . VAL B 2 163 ? -17.064 -13.431 14.787 1.00 24.07 ? 158 VAL B CG2 1 ATOM 1686 N N . ASN B 2 164 ? -17.131 -14.937 17.523 1.00 24.41 ? 159 ASN B N 1 ATOM 1687 C CA . ASN B 2 164 ? -18.203 -15.294 18.440 1.00 25.79 ? 159 ASN B CA 1 ATOM 1688 C C . ASN B 2 164 ? -19.451 -14.547 17.988 1.00 24.56 ? 159 ASN B C 1 ATOM 1689 O O . ASN B 2 164 ? -19.449 -13.327 17.952 1.00 26.54 ? 159 ASN B O 1 ATOM 1690 C CB . ASN B 2 164 ? -17.851 -14.895 19.884 1.00 28.92 ? 159 ASN B CB 1 ATOM 1691 C CG . ASN B 2 164 ? -16.706 -15.734 20.489 1.00 32.30 ? 159 ASN B CG 1 ATOM 1692 O OD1 . ASN B 2 164 ? -16.690 -16.968 20.408 1.00 32.34 ? 159 ASN B OD1 1 ATOM 1693 N ND2 . ASN B 2 164 ? -15.759 -15.054 21.123 1.00 33.39 ? 159 ASN B ND2 1 ATOM 1694 N N . LEU B 2 165 ? -20.508 -15.268 17.625 1.00 23.52 ? 160 LEU B N 1 ATOM 1695 C CA . LEU B 2 165 ? -21.748 -14.625 17.187 1.00 23.92 ? 160 LEU B CA 1 ATOM 1696 C C . LEU B 2 165 ? -22.921 -15.037 18.064 1.00 26.77 ? 160 LEU B C 1 ATOM 1697 O O . LEU B 2 165 ? -22.951 -16.153 18.594 1.00 28.05 ? 160 LEU B O 1 ATOM 1698 C CB . LEU B 2 165 ? -22.059 -15.002 15.754 1.00 20.40 ? 160 LEU B CB 1 ATOM 1699 C CG . LEU B 2 165 ? -20.836 -14.953 14.860 1.00 18.14 ? 160 LEU B CG 1 ATOM 1700 C CD1 . LEU B 2 165 ? -21.241 -15.276 13.432 1.00 21.07 ? 160 LEU B CD1 1 ATOM 1701 C CD2 . LEU B 2 165 ? -20.224 -13.590 14.948 1.00 15.56 ? 160 LEU B CD2 1 ATOM 1702 N N . PRO B 2 166 ? -23.897 -14.135 18.242 1.00 27.27 ? 161 PRO B N 1 ATOM 1703 C CA . PRO B 2 166 ? -25.086 -14.392 19.056 1.00 27.20 ? 161 PRO B CA 1 ATOM 1704 C C . PRO B 2 166 ? -26.212 -14.885 18.155 1.00 27.73 ? 161 PRO B C 1 ATOM 1705 O O . PRO B 2 166 ? -26.262 -14.548 16.968 1.00 27.46 ? 161 PRO B O 1 ATOM 1706 C CB . PRO B 2 166 ? -25.384 -13.030 19.646 1.00 27.19 ? 161 PRO B CB 1 ATOM 1707 C CG . PRO B 2 166 ? -25.117 -12.151 18.473 1.00 29.44 ? 161 PRO B CG 1 ATOM 1708 C CD . PRO B 2 166 ? -23.827 -12.712 17.870 1.00 27.58 ? 161 PRO B CD 1 ATOM 1709 N N . ILE B 2 167 ? -27.109 -15.683 18.721 1.00 27.07 ? 162 ILE B N 1 ATOM 1710 C CA . ILE B 2 167 ? -28.229 -16.232 17.971 1.00 25.88 ? 162 ILE B CA 1 ATOM 1711 C C . ILE B 2 167 ? -29.360 -15.229 17.920 1.00 27.33 ? 162 ILE B C 1 ATOM 1712 O O . ILE B 2 167 ? -29.625 -14.554 18.911 1.00 29.51 ? 162 ILE B O 1 ATOM 1713 C CB . ILE B 2 167 ? -28.751 -17.497 18.630 1.00 25.68 ? 162 ILE B CB 1 ATOM 1714 C CG1 . ILE B 2 167 ? -27.677 -18.582 18.589 1.00 27.87 ? 162 ILE B CG1 1 ATOM 1715 C CG2 . ILE B 2 167 ? -30.000 -17.951 17.928 1.00 24.36 ? 162 ILE B CG2 1 ATOM 1716 C CD1 . ILE B 2 167 ? -27.987 -19.788 19.449 1.00 30.90 ? 162 ILE B CD1 1 ATOM 1717 N N . VAL B 2 168 ? -30.037 -15.153 16.777 1.00 26.35 ? 163 VAL B N 1 ATOM 1718 C CA . VAL B 2 168 ? -31.149 -14.222 16.576 1.00 25.82 ? 163 VAL B CA 1 ATOM 1719 C C . VAL B 2 168 ? -32.530 -14.891 16.602 1.00 25.98 ? 163 VAL B C 1 ATOM 1720 O O . VAL B 2 168 ? -32.697 -16.004 16.105 1.00 25.72 ? 163 VAL B O 1 ATOM 1721 C CB . VAL B 2 168 ? -30.976 -13.497 15.241 1.00 26.62 ? 163 VAL B CB 1 ATOM 1722 C CG1 . VAL B 2 168 ? -32.218 -12.727 14.896 1.00 28.98 ? 163 VAL B CG1 1 ATOM 1723 C CG2 . VAL B 2 168 ? -29.790 -12.570 15.323 1.00 29.21 ? 163 VAL B CG2 1 ATOM 1724 N N . GLU B 2 169 ? -33.517 -14.201 17.173 1.00 26.13 ? 164 GLU B N 1 ATOM 1725 C CA . GLU B 2 169 ? -34.880 -14.721 17.269 1.00 29.04 ? 164 GLU B CA 1 ATOM 1726 C C . GLU B 2 169 ? -35.369 -15.190 15.912 1.00 32.40 ? 164 GLU B C 1 ATOM 1727 O O . GLU B 2 169 ? -35.086 -14.554 14.901 1.00 34.37 ? 164 GLU B O 1 ATOM 1728 C CB . GLU B 2 169 ? -35.846 -13.652 17.763 1.00 29.36 ? 164 GLU B CB 1 ATOM 1729 C CG . GLU B 2 169 ? -35.331 -12.782 18.876 1.00 34.13 ? 164 GLU B CG 1 ATOM 1730 C CD . GLU B 2 169 ? -34.354 -11.735 18.380 1.00 38.82 ? 164 GLU B CD 1 ATOM 1731 O OE1 . GLU B 2 169 ? -33.225 -12.106 17.992 1.00 40.39 ? 164 GLU B OE1 1 ATOM 1732 O OE2 . GLU B 2 169 ? -34.721 -10.537 18.370 1.00 42.11 ? 164 GLU B OE2 1 ATOM 1733 N N . ARG B 2 170 ? -36.128 -16.286 15.901 1.00 35.72 ? 165 ARG B N 1 ATOM 1734 C CA . ARG B 2 170 ? -36.669 -16.876 14.662 1.00 38.11 ? 165 ARG B CA 1 ATOM 1735 C C . ARG B 2 170 ? -37.406 -15.881 13.777 1.00 37.69 ? 165 ARG B C 1 ATOM 1736 O O . ARG B 2 170 ? -37.143 -15.780 12.575 1.00 36.85 ? 165 ARG B O 1 ATOM 1737 C CB . ARG B 2 170 ? -37.603 -18.058 14.991 1.00 40.43 ? 165 ARG B CB 1 ATOM 1738 C CG . ARG B 2 170 ? -38.303 -18.694 13.785 1.00 41.09 ? 165 ARG B CG 1 ATOM 1739 C CD . ARG B 2 170 ? -38.651 -20.155 14.066 1.00 43.09 ? 165 ARG B CD 1 ATOM 1740 N NE . ARG B 2 170 ? -37.478 -21.027 13.988 1.00 43.09 ? 165 ARG B NE 1 ATOM 1741 C CZ . ARG B 2 170 ? -36.943 -21.471 12.851 1.00 42.77 ? 165 ARG B CZ 1 ATOM 1742 N NH1 . ARG B 2 170 ? -37.480 -21.132 11.689 1.00 42.36 ? 165 ARG B NH1 1 ATOM 1743 N NH2 . ARG B 2 170 ? -35.865 -22.250 12.868 1.00 43.22 ? 165 ARG B NH2 1 ATOM 1744 N N . PRO B 2 171 ? -38.357 -15.147 14.356 1.00 37.92 ? 166 PRO B N 1 ATOM 1745 C CA . PRO B 2 171 ? -39.092 -14.175 13.556 1.00 38.91 ? 166 PRO B CA 1 ATOM 1746 C C . PRO B 2 171 ? -38.133 -13.261 12.805 1.00 39.00 ? 166 PRO B C 1 ATOM 1747 O O . PRO B 2 171 ? -38.209 -13.148 11.584 1.00 39.49 ? 166 PRO B O 1 ATOM 1748 C CB . PRO B 2 171 ? -39.915 -13.440 14.599 1.00 40.57 ? 166 PRO B CB 1 ATOM 1749 C CG . PRO B 2 171 ? -40.225 -14.534 15.584 1.00 40.10 ? 166 PRO B CG 1 ATOM 1750 C CD . PRO B 2 171 ? -38.883 -15.206 15.729 1.00 38.56 ? 166 PRO B CD 1 ATOM 1751 N N . VAL B 2 172 ? -37.221 -12.619 13.525 1.00 38.76 ? 167 VAL B N 1 ATOM 1752 C CA . VAL B 2 172 ? -36.279 -11.745 12.856 1.00 40.34 ? 167 VAL B CA 1 ATOM 1753 C C . VAL B 2 172 ? -35.618 -12.533 11.733 1.00 42.53 ? 167 VAL B C 1 ATOM 1754 O O . VAL B 2 172 ? -35.654 -12.102 10.581 1.00 45.77 ? 167 VAL B O 1 ATOM 1755 C CB . VAL B 2 172 ? -35.193 -11.226 13.799 1.00 40.09 ? 167 VAL B CB 1 ATOM 1756 C CG1 . VAL B 2 172 ? -34.373 -10.169 13.084 1.00 39.77 ? 167 VAL B CG1 1 ATOM 1757 C CG2 . VAL B 2 172 ? -35.818 -10.655 15.058 1.00 39.98 ? 167 VAL B CG2 1 ATOM 1758 N N . CYS B 2 173 ? -35.038 -13.691 12.053 1.00 43.47 ? 168 CYS B N 1 ATOM 1759 C CA . CYS B 2 173 ? -34.389 -14.502 11.027 1.00 44.77 ? 168 CYS B CA 1 ATOM 1760 C C . CYS B 2 173 ? -35.305 -14.633 9.831 1.00 47.01 ? 168 CYS B C 1 ATOM 1761 O O . CYS B 2 173 ? -34.862 -14.527 8.697 1.00 48.48 ? 168 CYS B O 1 ATOM 1762 C CB . CYS B 2 173 ? -34.052 -15.908 11.525 1.00 43.55 ? 168 CYS B CB 1 ATOM 1763 S SG . CYS B 2 173 ? -32.790 -16.046 12.836 1.00 46.36 ? 168 CYS B SG 1 ATOM 1764 N N . LYS B 2 174 ? -36.588 -14.860 10.073 1.00 49.26 ? 169 LYS B N 1 ATOM 1765 C CA . LYS B 2 174 ? -37.513 -14.992 8.958 1.00 52.53 ? 169 LYS B CA 1 ATOM 1766 C C . LYS B 2 174 ? -37.626 -13.679 8.182 1.00 53.51 ? 169 LYS B C 1 ATOM 1767 O O . LYS B 2 174 ? -37.453 -13.659 6.965 1.00 55.87 ? 169 LYS B O 1 ATOM 1768 C CB . LYS B 2 174 ? -38.891 -15.437 9.450 1.00 55.25 ? 169 LYS B CB 1 ATOM 1769 C CG . LYS B 2 174 ? -39.838 -15.856 8.323 1.00 59.81 ? 169 LYS B CG 1 ATOM 1770 C CD . LYS B 2 174 ? -41.127 -16.498 8.857 1.00 64.08 ? 169 LYS B CD 1 ATOM 1771 C CE . LYS B 2 174 ? -42.063 -16.967 7.729 1.00 64.87 ? 169 LYS B CE 1 ATOM 1772 N NZ . LYS B 2 174 ? -43.260 -17.712 8.244 1.00 64.77 ? 169 LYS B NZ 1 ATOM 1773 N N . ALA B 2 175 ? -37.897 -12.583 8.882 1.00 53.23 ? 170 ALA B N 1 ATOM 1774 C CA . ALA B 2 175 ? -38.037 -11.281 8.234 1.00 52.59 ? 170 ALA B CA 1 ATOM 1775 C C . ALA B 2 175 ? -36.823 -10.886 7.408 1.00 50.67 ? 170 ALA B C 1 ATOM 1776 O O . ALA B 2 175 ? -36.954 -10.424 6.281 1.00 50.50 ? 170 ALA B O 1 ATOM 1777 C CB . ALA B 2 175 ? -38.306 -10.209 9.278 1.00 55.02 ? 170 ALA B CB 1 ATOM 1778 N N . SER B 2 176 ? -35.647 -11.076 7.984 1.00 48.72 ? 171 SER B N 1 ATOM 1779 C CA . SER B 2 176 ? -34.387 -10.718 7.348 1.00 51.13 ? 171 SER B CA 1 ATOM 1780 C C . SER B 2 176 ? -34.236 -11.018 5.861 1.00 51.84 ? 171 SER B C 1 ATOM 1781 O O . SER B 2 176 ? -33.448 -10.359 5.172 1.00 51.97 ? 171 SER B O 1 ATOM 1782 C CB . SER B 2 176 ? -33.246 -11.381 8.093 1.00 53.25 ? 171 SER B CB 1 ATOM 1783 O OG . SER B 2 176 ? -33.430 -12.775 8.073 1.00 54.27 ? 171 SER B OG 1 ATOM 1784 N N . THR B 2 177 ? -34.954 -12.016 5.364 1.00 52.43 ? 172 THR B N 1 ATOM 1785 C CA . THR B 2 177 ? -34.862 -12.340 3.943 1.00 54.04 ? 172 THR B CA 1 ATOM 1786 C C . THR B 2 177 ? -36.156 -12.816 3.308 1.00 54.30 ? 172 THR B C 1 ATOM 1787 O O . THR B 2 177 ? -37.115 -13.197 3.980 1.00 53.40 ? 172 THR B O 1 ATOM 1788 C CB . THR B 2 177 ? -33.807 -13.414 3.653 1.00 55.25 ? 172 THR B CB 1 ATOM 1789 O OG1 . THR B 2 177 ? -33.803 -13.702 2.248 1.00 54.01 ? 172 THR B OG1 1 ATOM 1790 C CG2 . THR B 2 177 ? -34.119 -14.684 4.413 1.00 57.26 ? 172 THR B CG2 1 ATOM 1791 N N . ARG B 2 178 ? -36.164 -12.793 1.988 1.00 54.85 ? 173 ARG B N 1 ATOM 1792 C CA . ARG B 2 178 ? -37.324 -13.224 1.253 1.00 56.59 ? 173 ARG B CA 1 ATOM 1793 C C . ARG B 2 178 ? -37.267 -14.754 1.130 1.00 56.05 ? 173 ARG B C 1 ATOM 1794 O O . ARG B 2 178 ? -38.301 -15.416 1.017 1.00 56.31 ? 173 ARG B O 1 ATOM 1795 C CB . ARG B 2 178 ? -37.317 -12.538 -0.112 1.00 60.51 ? 173 ARG B CB 1 ATOM 1796 C CG . ARG B 2 178 ? -36.879 -11.071 -0.048 1.00 64.68 ? 173 ARG B CG 1 ATOM 1797 C CD . ARG B 2 178 ? -37.291 -10.276 -1.288 1.00 70.67 ? 173 ARG B CD 1 ATOM 1798 N NE . ARG B 2 178 ? -38.745 -10.169 -1.388 1.00 77.56 ? 173 ARG B NE 1 ATOM 1799 C CZ . ARG B 2 178 ? -39.544 -11.118 -1.878 1.00 81.22 ? 173 ARG B CZ 1 ATOM 1800 N NH1 . ARG B 2 178 ? -39.041 -12.259 -2.334 1.00 82.25 ? 173 ARG B NH1 1 ATOM 1801 N NH2 . ARG B 2 178 ? -40.859 -10.936 -1.886 1.00 83.66 ? 173 ARG B NH2 1 ATOM 1802 N N . ILE B 2 179 ? -36.052 -15.309 1.173 1.00 53.95 ? 174 ILE B N 1 ATOM 1803 C CA . ILE B 2 179 ? -35.841 -16.757 1.083 1.00 49.93 ? 174 ILE B CA 1 ATOM 1804 C C . ILE B 2 179 ? -36.689 -17.426 2.140 1.00 49.19 ? 174 ILE B C 1 ATOM 1805 O O . ILE B 2 179 ? -36.948 -16.830 3.184 1.00 50.82 ? 174 ILE B O 1 ATOM 1806 C CB . ILE B 2 179 ? -34.376 -17.122 1.361 1.00 47.33 ? 174 ILE B CB 1 ATOM 1807 C CG1 . ILE B 2 179 ? -33.488 -16.588 0.246 1.00 48.49 ? 174 ILE B CG1 1 ATOM 1808 C CG2 . ILE B 2 179 ? -34.227 -18.609 1.482 1.00 46.03 ? 174 ILE B CG2 1 ATOM 1809 C CD1 . ILE B 2 179 ? -32.033 -16.900 0.433 1.00 49.66 ? 174 ILE B CD1 1 ATOM 1810 N N . ARG B 2 180 ? -37.125 -18.655 1.883 1.00 48.57 ? 175 ARG B N 1 ATOM 1811 C CA . ARG B 2 180 ? -37.946 -19.362 2.861 1.00 49.12 ? 175 ARG B CA 1 ATOM 1812 C C . ARG B 2 180 ? -37.115 -20.251 3.780 1.00 47.83 ? 175 ARG B C 1 ATOM 1813 O O . ARG B 2 180 ? -36.689 -21.334 3.381 1.00 48.06 ? 175 ARG B O 1 ATOM 1814 C CB . ARG B 2 180 ? -39.006 -20.216 2.166 1.00 51.20 ? 175 ARG B CB 1 ATOM 1815 C CG . ARG B 2 180 ? -39.905 -20.966 3.146 1.00 54.86 ? 175 ARG B CG 1 ATOM 1816 C CD . ARG B 2 180 ? -40.961 -21.809 2.430 1.00 58.41 ? 175 ARG B CD 1 ATOM 1817 N NE . ARG B 2 180 ? -40.386 -22.951 1.717 1.00 59.72 ? 175 ARG B NE 1 ATOM 1818 C CZ . ARG B 2 180 ? -40.001 -24.085 2.297 1.00 58.37 ? 175 ARG B CZ 1 ATOM 1819 N NH1 . ARG B 2 180 ? -40.132 -24.236 3.608 1.00 58.14 ? 175 ARG B NH1 1 ATOM 1820 N NH2 . ARG B 2 180 ? -39.485 -25.070 1.566 1.00 55.23 ? 175 ARG B NH2 1 ATOM 1821 N N . ILE B 2 181 ? -36.898 -19.794 5.011 1.00 45.74 ? 176 ILE B N 1 ATOM 1822 C CA . ILE B 2 181 ? -36.117 -20.547 5.990 1.00 43.21 ? 176 ILE B CA 1 ATOM 1823 C C . ILE B 2 181 ? -37.003 -21.562 6.667 1.00 42.59 ? 176 ILE B C 1 ATOM 1824 O O . ILE B 2 181 ? -38.225 -21.413 6.674 1.00 42.91 ? 176 ILE B O 1 ATOM 1825 C CB . ILE B 2 181 ? -35.554 -19.640 7.068 1.00 43.05 ? 176 ILE B CB 1 ATOM 1826 C CG1 . ILE B 2 181 ? -36.701 -19.028 7.871 1.00 45.51 ? 176 ILE B CG1 1 ATOM 1827 C CG2 . ILE B 2 181 ? -34.736 -18.553 6.431 1.00 41.59 ? 176 ILE B CG2 1 ATOM 1828 C CD1 . ILE B 2 181 ? -36.255 -18.018 8.920 1.00 49.63 ? 176 ILE B CD1 1 ATOM 1829 N N . THR B 2 182 ? -36.387 -22.583 7.251 1.00 42.60 ? 177 THR B N 1 ATOM 1830 C CA . THR B 2 182 ? -37.153 -23.632 7.911 1.00 44.75 ? 177 THR B CA 1 ATOM 1831 C C . THR B 2 182 ? -36.665 -23.959 9.304 1.00 44.28 ? 177 THR B C 1 ATOM 1832 O O . THR B 2 182 ? -35.697 -23.387 9.806 1.00 44.68 ? 177 THR B O 1 ATOM 1833 C CB . THR B 2 182 ? -37.100 -24.961 7.146 1.00 45.18 ? 177 THR B CB 1 ATOM 1834 O OG1 . THR B 2 182 ? -35.994 -25.728 7.634 1.00 47.65 ? 177 THR B OG1 1 ATOM 1835 C CG2 . THR B 2 182 ? -36.913 -24.729 5.656 1.00 45.97 ? 177 THR B CG2 1 ATOM 1836 N N . ASP B 2 183 ? -37.344 -24.922 9.908 1.00 43.64 ? 178 ASP B N 1 ATOM 1837 C CA . ASP B 2 183 ? -37.005 -25.374 11.236 1.00 44.25 ? 178 ASP B CA 1 ATOM 1838 C C . ASP B 2 183 ? -35.803 -26.298 11.173 1.00 42.22 ? 178 ASP B C 1 ATOM 1839 O O . ASP B 2 183 ? -35.540 -27.052 12.110 1.00 44.25 ? 178 ASP B O 1 ATOM 1840 C CB . ASP B 2 183 ? -38.203 -26.093 11.852 1.00 48.51 ? 178 ASP B CB 1 ATOM 1841 C CG . ASP B 2 183 ? -39.337 -25.140 12.180 1.00 52.78 ? 178 ASP B CG 1 ATOM 1842 O OD1 . ASP B 2 183 ? -39.613 -24.245 11.352 1.00 54.17 ? 178 ASP B OD1 1 ATOM 1843 O OD2 . ASP B 2 183 ? -39.955 -25.283 13.259 1.00 57.37 ? 178 ASP B OD2 1 ATOM 1844 N N . ASN B 2 184 ? -35.083 -26.254 10.057 1.00 37.31 ? 179 ASN B N 1 ATOM 1845 C CA . ASN B 2 184 ? -33.898 -27.078 9.918 1.00 35.29 ? 179 ASN B CA 1 ATOM 1846 C C . ASN B 2 184 ? -32.699 -26.166 9.803 1.00 34.69 ? 179 ASN B C 1 ATOM 1847 O O . ASN B 2 184 ? -31.592 -26.594 9.486 1.00 35.18 ? 179 ASN B O 1 ATOM 1848 C CB . ASN B 2 184 ? -33.998 -28.016 8.715 1.00 34.13 ? 179 ASN B CB 1 ATOM 1849 C CG . ASN B 2 184 ? -34.947 -29.176 8.963 1.00 34.73 ? 179 ASN B CG 1 ATOM 1850 O OD1 . ASN B 2 184 ? -34.932 -29.787 10.028 1.00 34.17 ? 179 ASN B OD1 1 ATOM 1851 N ND2 . ASN B 2 184 ? -35.772 -29.490 7.978 1.00 36.97 ? 179 ASN B ND2 1 ATOM 1852 N N . MET B 2 185 ? -32.933 -24.890 10.076 1.00 33.67 ? 180 MET B N 1 ATOM 1853 C CA . MET B 2 185 ? -31.860 -23.910 10.060 1.00 33.48 ? 180 MET B CA 1 ATOM 1854 C C . MET B 2 185 ? -32.143 -22.776 11.050 1.00 30.60 ? 180 MET B C 1 ATOM 1855 O O . MET B 2 185 ? -33.297 -22.456 11.331 1.00 30.85 ? 180 MET B O 1 ATOM 1856 C CB . MET B 2 185 ? -31.647 -23.367 8.640 1.00 36.74 ? 180 MET B CB 1 ATOM 1857 C CG . MET B 2 185 ? -32.914 -22.955 7.881 1.00 42.13 ? 180 MET B CG 1 ATOM 1858 S SD . MET B 2 185 ? -32.569 -22.217 6.224 1.00 46.54 ? 180 MET B SD 1 ATOM 1859 C CE . MET B 2 185 ? -32.929 -23.613 5.120 1.00 45.64 ? 180 MET B CE 1 ATOM 1860 N N . PHE B 2 186 ? -31.085 -22.208 11.616 1.00 27.99 ? 181 PHE B N 1 ATOM 1861 C CA . PHE B 2 186 ? -31.228 -21.109 12.555 1.00 28.34 ? 181 PHE B CA 1 ATOM 1862 C C . PHE B 2 186 ? -30.190 -20.080 12.150 1.00 29.25 ? 181 PHE B C 1 ATOM 1863 O O . PHE B 2 186 ? -29.180 -20.427 11.543 1.00 29.87 ? 181 PHE B O 1 ATOM 1864 C CB . PHE B 2 186 ? -31.028 -21.591 13.998 1.00 27.42 ? 181 PHE B CB 1 ATOM 1865 C CG . PHE B 2 186 ? -29.588 -21.864 14.381 1.00 26.86 ? 181 PHE B CG 1 ATOM 1866 C CD1 . PHE B 2 186 ? -28.713 -20.819 14.686 1.00 25.85 ? 181 PHE B CD1 1 ATOM 1867 C CD2 . PHE B 2 186 ? -29.121 -23.168 14.490 1.00 27.11 ? 181 PHE B CD2 1 ATOM 1868 C CE1 . PHE B 2 186 ? -27.400 -21.072 15.097 1.00 24.13 ? 181 PHE B CE1 1 ATOM 1869 C CE2 . PHE B 2 186 ? -27.808 -23.428 14.900 1.00 26.84 ? 181 PHE B CE2 1 ATOM 1870 C CZ . PHE B 2 186 ? -26.951 -22.377 15.204 1.00 25.74 ? 181 PHE B CZ 1 ATOM 1871 N N . CYS B 2 187 ? -30.437 -18.817 12.478 1.00 29.81 ? 182 CYS B N 1 ATOM 1872 C CA . CYS B 2 187 ? -29.535 -17.752 12.086 1.00 29.51 ? 182 CYS B CA 1 ATOM 1873 C C . CYS B 2 187 ? -28.937 -17.008 13.262 1.00 29.90 ? 182 CYS B C 1 ATOM 1874 O O . CYS B 2 187 ? -29.523 -16.949 14.340 1.00 30.87 ? 182 CYS B O 1 ATOM 1875 C CB . CYS B 2 187 ? -30.287 -16.776 11.183 1.00 31.78 ? 182 CYS B CB 1 ATOM 1876 S SG . CYS B 2 187 ? -31.075 -15.345 12.004 1.00 39.13 ? 182 CYS B SG 1 ATOM 1877 N N . ALA B 2 188 ? -27.759 -16.439 13.047 1.00 31.08 ? 183 ALA B N 1 ATOM 1878 C CA . ALA B 2 188 ? -27.076 -15.672 14.081 1.00 32.73 ? 183 ALA B CA 1 ATOM 1879 C C . ALA B 2 188 ? -26.245 -14.568 13.443 1.00 33.56 ? 183 ALA B C 1 ATOM 1880 O O . ALA B 2 188 ? -25.714 -14.735 12.340 1.00 32.59 ? 183 ALA B O 1 ATOM 1881 C CB . ALA B 2 188 ? -26.190 -16.574 14.908 1.00 34.37 ? 183 ALA B CB 1 ATOM 1882 N N . GLY B 2 189 ? -26.138 -13.449 14.148 1.00 34.29 ? 184 GLY B N 1 ATOM 1883 C CA . GLY B 2 189 ? -25.384 -12.310 13.662 1.00 37.55 ? 184 GLY B CA 1 ATOM 1884 C C . GLY B 2 189 ? -25.738 -11.157 14.571 1.00 40.56 ? 184 GLY B C 1 ATOM 1885 O O . GLY B 2 189 ? -26.119 -11.377 15.719 1.00 42.55 ? 184 GLY B O 1 ATOM 1886 N N . PHE B 2 190 A -25.624 -9.930 14.091 1.00 42.20 ? 184 PHE B N 1 ATOM 1887 C CA . PHE B 2 190 A -25.982 -8.816 14.949 1.00 45.89 ? 184 PHE B CA 1 ATOM 1888 C C . PHE B 2 190 A -27.014 -7.892 14.364 1.00 48.64 ? 184 PHE B C 1 ATOM 1889 O O . PHE B 2 190 A -26.974 -7.542 13.183 1.00 48.80 ? 184 PHE B O 1 ATOM 1890 C CB . PHE B 2 190 A -24.785 -7.937 15.288 1.00 46.85 ? 184 PHE B CB 1 ATOM 1891 C CG . PHE B 2 190 A -23.622 -8.666 15.866 1.00 45.65 ? 184 PHE B CG 1 ATOM 1892 C CD1 . PHE B 2 190 A -22.740 -9.342 15.037 1.00 45.35 ? 184 PHE B CD1 1 ATOM 1893 C CD2 . PHE B 2 190 A -23.362 -8.612 17.234 1.00 45.03 ? 184 PHE B CD2 1 ATOM 1894 C CE1 . PHE B 2 190 A -21.607 -9.949 15.556 1.00 45.43 ? 184 PHE B CE1 1 ATOM 1895 C CE2 . PHE B 2 190 A -22.229 -9.218 17.767 1.00 44.27 ? 184 PHE B CE2 1 ATOM 1896 C CZ . PHE B 2 190 A -21.350 -9.889 16.927 1.00 44.60 ? 184 PHE B CZ 1 ATOM 1897 N N . LYS B 2 191 ? -27.946 -7.467 15.207 1.00 51.58 ? 185 LYS B N 1 ATOM 1898 C CA . LYS B 2 191 ? -28.947 -6.522 14.744 1.00 55.16 ? 185 LYS B CA 1 ATOM 1899 C C . LYS B 2 191 ? -28.425 -5.177 15.202 1.00 60.44 ? 185 LYS B C 1 ATOM 1900 O O . LYS B 2 191 ? -28.450 -4.234 14.423 1.00 62.31 ? 185 LYS B O 1 ATOM 1901 C CB . LYS B 2 191 ? -30.328 -6.792 15.311 1.00 51.21 ? 185 LYS B CB 1 ATOM 1902 C CG . LYS B 2 191 ? -30.455 -7.882 16.370 1.00 46.24 ? 185 LYS B CG 1 ATOM 1903 C CD . LYS B 2 191 ? -31.743 -8.710 16.171 1.00 38.81 ? 185 LYS B CD 1 ATOM 1904 C CE . LYS B 2 191 ? -32.311 -9.252 17.476 1.00 31.57 ? 185 LYS B CE 1 ATOM 1905 N NZ . LYS B 2 191 ? -33.112 -8.212 18.161 1.00 22.52 ? 185 LYS B NZ 1 ATOM 1906 N N . VAL B 2 192 ? -27.991 -5.151 16.498 1.00 64.15 ? 186 VAL B N 1 ATOM 1907 C CA . VAL B 2 192 ? -27.354 -4.013 17.214 1.00 67.79 ? 186 VAL B CA 1 ATOM 1908 C C . VAL B 2 192 ? -26.999 -3.031 16.094 1.00 69.23 ? 186 VAL B C 1 ATOM 1909 O O . VAL B 2 192 ? -27.052 -1.785 16.343 1.00 69.32 ? 186 VAL B O 1 ATOM 1910 C CB . VAL B 2 192 ? -26.028 -4.478 17.984 1.00 69.09 ? 186 VAL B CB 1 ATOM 1911 C CG1 . VAL B 2 192 ? -24.739 -3.916 17.275 1.00 69.67 ? 186 VAL B CG1 1 ATOM 1912 C CG2 . VAL B 2 192 ? -26.079 -4.070 19.466 1.00 70.82 ? 186 VAL B CG2 1 ATOM 1913 N N . ASN B 2 193 A -26.556 -3.611 14.974 1.00 71.35 ? 186 ASN B N 1 ATOM 1914 C CA . ASN B 2 193 A -26.184 -2.885 13.765 1.00 74.21 ? 186 ASN B CA 1 ATOM 1915 C C . ASN B 2 193 A -25.126 -1.856 13.976 1.00 74.82 ? 186 ASN B C 1 ATOM 1916 O O . ASN B 2 193 A -25.264 -0.784 13.433 1.00 73.85 ? 186 ASN B O 1 ATOM 1917 C CB . ASN B 2 193 A -27.493 -2.207 13.282 1.00 78.62 ? 186 ASN B CB 1 ATOM 1918 C CG . ASN B 2 193 A -27.617 -1.198 11.976 1.00 83.48 ? 186 ASN B CG 1 ATOM 1919 O OD1 . ASN B 2 193 A -26.742 -0.415 11.327 1.00 83.28 ? 186 ASN B OD1 1 ATOM 1920 N ND2 . ASN B 2 193 A -28.901 -1.318 11.809 1.00 88.53 ? 186 ASN B ND2 1 ATOM 1921 N N . ASP B 2 194 B -24.208 -2.210 14.880 1.00 76.90 ? 186 ASP B N 1 ATOM 1922 C CA . ASP B 2 194 B -22.913 -1.517 15.221 1.00 80.20 ? 186 ASP B CA 1 ATOM 1923 C C . ASP B 2 194 B -22.108 -2.287 16.318 1.00 81.41 ? 186 ASP B C 1 ATOM 1924 O O . ASP B 2 194 B -21.137 -2.954 15.975 1.00 80.86 ? 186 ASP B O 1 ATOM 1925 C CB . ASP B 2 194 B -22.951 -0.069 15.770 1.00 81.37 ? 186 ASP B CB 1 ATOM 1926 C CG . ASP B 2 194 B -21.639 0.255 16.511 1.00 82.91 ? 186 ASP B CG 1 ATOM 1927 O OD1 . ASP B 2 194 B -21.649 0.206 17.772 1.00 83.91 ? 186 ASP B OD1 1 ATOM 1928 O OD2 . ASP B 2 194 B -20.549 0.391 15.852 1.00 84.42 ? 186 ASP B OD2 1 ATOM 1929 N N . THR B 2 195 C -22.495 -2.150 17.608 1.00 84.01 ? 186 THR B N 1 ATOM 1930 C CA . THR B 2 195 C -21.810 -2.808 18.744 1.00 88.05 ? 186 THR B CA 1 ATOM 1931 C C . THR B 2 195 C -20.565 -3.549 18.313 1.00 87.78 ? 186 THR B C 1 ATOM 1932 O O . THR B 2 195 C -19.457 -3.018 18.368 1.00 88.51 ? 186 THR B O 1 ATOM 1933 C CB . THR B 2 195 C -22.744 -3.821 19.503 1.00 90.16 ? 186 THR B CB 1 ATOM 1934 O OG1 . THR B 2 195 C -23.847 -3.111 20.071 1.00 94.00 ? 186 THR B OG1 1 ATOM 1935 C CG2 . THR B 2 195 C -21.999 -4.545 20.624 1.00 91.87 ? 186 THR B CG2 1 ATOM 1936 N N . LYS B 2 196 D -20.774 -4.779 17.868 1.00 87.67 ? 186 LYS B N 1 ATOM 1937 C CA . LYS B 2 196 D -19.710 -5.631 17.382 1.00 86.66 ? 186 LYS B CA 1 ATOM 1938 C C . LYS B 2 196 D -20.211 -6.078 16.012 1.00 84.04 ? 186 LYS B C 1 ATOM 1939 O O . LYS B 2 196 D -21.386 -5.902 15.691 1.00 84.55 ? 186 LYS B O 1 ATOM 1940 C CB . LYS B 2 196 D -19.535 -6.825 18.324 1.00 89.27 ? 186 LYS B CB 1 ATOM 1941 C CG . LYS B 2 196 D -19.195 -6.418 19.758 1.00 92.47 ? 186 LYS B CG 1 ATOM 1942 C CD . LYS B 2 196 D -19.426 -7.549 20.758 1.00 93.73 ? 186 LYS B CD 1 ATOM 1943 C CE . LYS B 2 196 D -19.208 -7.057 22.189 1.00 94.65 ? 186 LYS B CE 1 ATOM 1944 N NZ . LYS B 2 196 D -19.628 -8.049 23.221 1.00 93.21 ? 186 LYS B NZ 1 ATOM 1945 N N . ARG B 2 197 ? -19.329 -6.633 15.196 1.00 80.02 ? 187 ARG B N 1 ATOM 1946 C CA . ARG B 2 197 ? -19.736 -7.090 13.881 1.00 74.29 ? 187 ARG B CA 1 ATOM 1947 C C . ARG B 2 197 ? -19.147 -8.465 13.682 1.00 68.57 ? 187 ARG B C 1 ATOM 1948 O O . ARG B 2 197 ? -18.367 -8.938 14.504 1.00 67.20 ? 187 ARG B O 1 ATOM 1949 C CB . ARG B 2 197 ? -19.214 -6.138 12.812 1.00 78.19 ? 187 ARG B CB 1 ATOM 1950 C CG . ARG B 2 197 ? -19.503 -4.677 13.120 1.00 82.89 ? 187 ARG B CG 1 ATOM 1951 C CD . ARG B 2 197 ? -19.169 -3.764 11.942 1.00 87.58 ? 187 ARG B CD 1 ATOM 1952 N NE . ARG B 2 197 ? -19.881 -4.141 10.719 1.00 90.92 ? 187 ARG B NE 1 ATOM 1953 C CZ . ARG B 2 197 ? -21.199 -4.329 10.630 1.00 90.22 ? 187 ARG B CZ 1 ATOM 1954 N NH1 . ARG B 2 197 ? -21.981 -4.180 11.695 1.00 88.88 ? 187 ARG B NH1 1 ATOM 1955 N NH2 . ARG B 2 197 ? -21.738 -4.669 9.466 1.00 89.70 ? 187 ARG B NH2 1 ATOM 1956 N N . GLY B 2 198 ? -19.516 -9.116 12.594 1.00 62.99 ? 188 GLY B N 1 ATOM 1957 C CA . GLY B 2 198 ? -18.971 -10.434 12.362 1.00 58.52 ? 188 GLY B CA 1 ATOM 1958 C C . GLY B 2 198 ? -19.956 -11.429 11.802 1.00 53.59 ? 188 GLY B C 1 ATOM 1959 O O . GLY B 2 198 ? -21.149 -11.379 12.083 1.00 52.98 ? 188 GLY B O 1 ATOM 1960 N N . ASP B 2 199 ? -19.439 -12.347 11.002 1.00 48.78 ? 189 ASP B N 1 ATOM 1961 C CA . ASP B 2 199 ? -20.259 -13.362 10.392 1.00 44.00 ? 189 ASP B CA 1 ATOM 1962 C C . ASP B 2 199 ? -19.357 -14.280 9.613 1.00 43.69 ? 189 ASP B C 1 ATOM 1963 O O . ASP B 2 199 ? -18.176 -13.999 9.440 1.00 43.55 ? 189 ASP B O 1 ATOM 1964 C CB . ASP B 2 199 ? -21.258 -12.733 9.444 1.00 42.82 ? 189 ASP B CB 1 ATOM 1965 C CG . ASP B 2 199 ? -22.065 -13.762 8.715 1.00 42.67 ? 189 ASP B CG 1 ATOM 1966 O OD1 . ASP B 2 199 ? -22.591 -14.662 9.391 1.00 43.13 ? 189 ASP B OD1 1 ATOM 1967 O OD2 . ASP B 2 199 ? -22.180 -13.684 7.480 1.00 42.64 ? 189 ASP B OD2 1 ATOM 1968 N N . ALA B 2 200 ? -19.913 -15.387 9.149 1.00 43.57 ? 190 ALA B N 1 ATOM 1969 C CA . ALA B 2 200 ? -19.144 -16.335 8.372 1.00 43.60 ? 190 ALA B CA 1 ATOM 1970 C C . ALA B 2 200 ? -19.392 -15.987 6.931 1.00 44.18 ? 190 ALA B C 1 ATOM 1971 O O . ALA B 2 200 ? -20.480 -15.554 6.572 1.00 43.03 ? 190 ALA B O 1 ATOM 1972 C CB . ALA B 2 200 ? -19.603 -17.733 8.649 1.00 44.83 ? 190 ALA B CB 1 ATOM 1973 N N . CYS B 2 201 ? -18.383 -16.174 6.101 1.00 45.85 ? 191 CYS B N 1 ATOM 1974 C CA . CYS B 2 201 ? -18.527 -15.849 4.697 1.00 47.98 ? 191 CYS B CA 1 ATOM 1975 C C . CYS B 2 201 ? -18.207 -17.058 3.822 1.00 49.68 ? 191 CYS B C 1 ATOM 1976 O O . CYS B 2 201 ? -18.126 -18.195 4.306 1.00 50.93 ? 191 CYS B O 1 ATOM 1977 C CB . CYS B 2 201 ? -17.609 -14.673 4.354 1.00 46.67 ? 191 CYS B CB 1 ATOM 1978 S SG . CYS B 2 201 ? -18.132 -13.781 2.867 1.00 45.78 ? 191 CYS B SG 1 ATOM 1979 N N . GLU B 2 202 ? -18.035 -16.811 2.528 1.00 49.29 ? 192 GLU B N 1 ATOM 1980 C CA . GLU B 2 202 ? -17.715 -17.877 1.595 1.00 47.53 ? 192 GLU B CA 1 ATOM 1981 C C . GLU B 2 202 ? -16.471 -18.649 2.011 1.00 45.10 ? 192 GLU B C 1 ATOM 1982 O O . GLU B 2 202 ? -15.378 -18.094 2.102 1.00 45.63 ? 192 GLU B O 1 ATOM 1983 C CB . GLU B 2 202 ? -17.491 -17.319 0.195 1.00 49.84 ? 192 GLU B CB 1 ATOM 1984 C CG . GLU B 2 202 ? -18.697 -17.357 -0.716 1.00 52.22 ? 192 GLU B CG 1 ATOM 1985 C CD . GLU B 2 202 ? -19.709 -16.294 -0.376 1.00 54.80 ? 192 GLU B CD 1 ATOM 1986 O OE1 . GLU B 2 202 ? -19.303 -15.232 0.151 1.00 54.94 ? 192 GLU B OE1 1 ATOM 1987 O OE2 . GLU B 2 202 ? -20.907 -16.513 -0.654 1.00 58.15 ? 192 GLU B OE2 1 ATOM 1988 N N . GLY B 2 203 ? -16.631 -19.937 2.254 1.00 41.17 ? 193 GLY B N 1 ATOM 1989 C CA . GLY B 2 203 ? -15.490 -20.727 2.632 1.00 40.76 ? 193 GLY B CA 1 ATOM 1990 C C . GLY B 2 203 ? -15.573 -21.132 4.077 1.00 40.54 ? 193 GLY B C 1 ATOM 1991 O O . GLY B 2 203 ? -14.616 -21.667 4.631 1.00 42.49 ? 193 GLY B O 1 ATOM 1992 N N . ASP B 2 204 ? -16.704 -20.869 4.710 1.00 39.58 ? 194 ASP B N 1 ATOM 1993 C CA . ASP B 2 204 ? -16.836 -21.274 6.093 1.00 41.70 ? 194 ASP B CA 1 ATOM 1994 C C . ASP B 2 204 ? -17.789 -22.456 6.204 1.00 42.00 ? 194 ASP B C 1 ATOM 1995 O O . ASP B 2 204 ? -17.886 -23.099 7.246 1.00 43.65 ? 194 ASP B O 1 ATOM 1996 C CB . ASP B 2 204 ? -17.288 -20.098 6.946 1.00 43.81 ? 194 ASP B CB 1 ATOM 1997 C CG . ASP B 2 204 ? -16.179 -19.087 7.151 1.00 47.26 ? 194 ASP B CG 1 ATOM 1998 O OD1 . ASP B 2 204 ? -15.018 -19.538 7.275 1.00 49.43 ? 194 ASP B OD1 1 ATOM 1999 O OD2 . ASP B 2 204 ? -16.456 -17.864 7.200 1.00 47.46 ? 194 ASP B OD2 1 ATOM 2000 N N . ALA B 2 205 ? -18.472 -22.753 5.104 1.00 41.71 ? 195 ALA B N 1 ATOM 2001 C CA . ALA B 2 205 ? -19.409 -23.869 5.047 1.00 40.06 ? 195 ALA B CA 1 ATOM 2002 C C . ALA B 2 205 ? -18.860 -25.102 5.732 1.00 37.97 ? 195 ALA B C 1 ATOM 2003 O O . ALA B 2 205 ? -17.659 -25.365 5.703 1.00 36.74 ? 195 ALA B O 1 ATOM 2004 C CB . ALA B 2 205 ? -19.729 -24.225 3.597 1.00 41.82 ? 195 ALA B CB 1 ATOM 2005 N N . GLY B 2 206 ? -19.757 -25.869 6.334 1.00 36.40 ? 196 GLY B N 1 ATOM 2006 C CA . GLY B 2 206 ? -19.340 -27.068 7.026 1.00 34.35 ? 196 GLY B CA 1 ATOM 2007 C C . GLY B 2 206 ? -18.701 -26.681 8.342 1.00 30.82 ? 196 GLY B C 1 ATOM 2008 O O . GLY B 2 206 ? -18.515 -27.514 9.230 1.00 33.33 ? 196 GLY B O 1 ATOM 2009 N N . GLY B 2 207 ? -18.350 -25.408 8.468 1.00 25.50 ? 197 GLY B N 1 ATOM 2010 C CA . GLY B 2 207 ? -17.746 -24.951 9.701 1.00 19.15 ? 197 GLY B CA 1 ATOM 2011 C C . GLY B 2 207 ? -18.746 -25.194 10.805 1.00 16.50 ? 197 GLY B C 1 ATOM 2012 O O . GLY B 2 207 ? -19.955 -25.134 10.564 1.00 17.36 ? 197 GLY B O 1 ATOM 2013 N N . PRO B 2 208 ? -18.283 -25.489 12.023 1.00 13.75 ? 198 PRO B N 1 ATOM 2014 C CA . PRO B 2 208 ? -19.254 -25.727 13.087 1.00 13.82 ? 198 PRO B CA 1 ATOM 2015 C C . PRO B 2 208 ? -19.600 -24.478 13.861 1.00 14.67 ? 198 PRO B C 1 ATOM 2016 O O . PRO B 2 208 ? -18.790 -23.563 13.961 1.00 16.16 ? 198 PRO B O 1 ATOM 2017 C CB . PRO B 2 208 ? -18.546 -26.749 13.960 1.00 11.76 ? 198 PRO B CB 1 ATOM 2018 C CG . PRO B 2 208 ? -17.127 -26.285 13.880 1.00 10.08 ? 198 PRO B CG 1 ATOM 2019 C CD . PRO B 2 208 ? -16.952 -25.992 12.405 1.00 10.70 ? 198 PRO B CD 1 ATOM 2020 N N . PHE B 2 209 ? -20.823 -24.445 14.379 1.00 15.66 ? 199 PHE B N 1 ATOM 2021 C CA . PHE B 2 209 ? -21.290 -23.349 15.218 1.00 17.92 ? 199 PHE B CA 1 ATOM 2022 C C . PHE B 2 209 ? -21.357 -24.023 16.570 1.00 18.37 ? 199 PHE B C 1 ATOM 2023 O O . PHE B 2 209 ? -22.293 -24.779 16.840 1.00 19.43 ? 199 PHE B O 1 ATOM 2024 C CB . PHE B 2 209 ? -22.683 -22.873 14.814 1.00 19.30 ? 199 PHE B CB 1 ATOM 2025 C CG . PHE B 2 209 ? -23.196 -21.744 15.661 1.00 20.00 ? 199 PHE B CG 1 ATOM 2026 C CD1 . PHE B 2 209 ? -23.888 -21.996 16.831 1.00 19.96 ? 199 PHE B CD1 1 ATOM 2027 C CD2 . PHE B 2 209 ? -22.930 -20.428 15.319 1.00 18.73 ? 199 PHE B CD2 1 ATOM 2028 C CE1 . PHE B 2 209 ? -24.299 -20.954 17.646 1.00 18.97 ? 199 PHE B CE1 1 ATOM 2029 C CE2 . PHE B 2 209 ? -23.337 -19.392 16.129 1.00 17.83 ? 199 PHE B CE2 1 ATOM 2030 C CZ . PHE B 2 209 ? -24.021 -19.655 17.292 1.00 17.27 ? 199 PHE B CZ 1 ATOM 2031 N N . VAL B 2 210 ? -20.367 -23.746 17.412 1.00 17.38 ? 200 VAL B N 1 ATOM 2032 C CA . VAL B 2 210 ? -20.274 -24.393 18.708 1.00 16.73 ? 200 VAL B CA 1 ATOM 2033 C C . VAL B 2 210 ? -20.608 -23.555 19.921 1.00 15.93 ? 200 VAL B C 1 ATOM 2034 O O . VAL B 2 210 ? -20.548 -22.327 19.882 1.00 14.60 ? 200 VAL B O 1 ATOM 2035 C CB . VAL B 2 210 ? -18.878 -24.939 18.892 1.00 17.15 ? 200 VAL B CB 1 ATOM 2036 C CG1 . VAL B 2 210 ? -18.428 -25.632 17.611 1.00 18.92 ? 200 VAL B CG1 1 ATOM 2037 C CG2 . VAL B 2 210 ? -17.942 -23.812 19.220 1.00 20.70 ? 200 VAL B CG2 1 ATOM 2038 N N . MET B 2 211 ? -20.953 -24.250 21.001 1.00 17.80 ? 201 MET B N 1 ATOM 2039 C CA . MET B 2 211 ? -21.292 -23.627 22.277 1.00 20.79 ? 201 MET B CA 1 ATOM 2040 C C . MET B 2 211 ? -20.762 -24.496 23.430 1.00 22.82 ? 201 MET B C 1 ATOM 2041 O O . MET B 2 211 ? -20.814 -25.730 23.378 1.00 23.38 ? 201 MET B O 1 ATOM 2042 C CB . MET B 2 211 ? -22.800 -23.461 22.392 1.00 20.73 ? 201 MET B CB 1 ATOM 2043 C CG . MET B 2 211 ? -23.416 -22.728 21.226 1.00 24.14 ? 201 MET B CG 1 ATOM 2044 S SD . MET B 2 211 ? -25.195 -22.548 21.429 1.00 30.51 ? 201 MET B SD 1 ATOM 2045 C CE . MET B 2 211 ? -25.248 -21.074 22.427 1.00 34.72 ? 201 MET B CE 1 ATOM 2046 N N . LYS B 2 212 ? -20.241 -23.854 24.468 1.00 23.42 ? 202 LYS B N 1 ATOM 2047 C CA . LYS B 2 212 ? -19.693 -24.593 25.594 1.00 24.09 ? 202 LYS B CA 1 ATOM 2048 C C . LYS B 2 212 ? -20.679 -24.644 26.741 1.00 24.41 ? 202 LYS B C 1 ATOM 2049 O O . LYS B 2 212 ? -20.924 -23.632 27.392 1.00 23.82 ? 202 LYS B O 1 ATOM 2050 C CB . LYS B 2 212 ? -18.388 -23.943 26.061 1.00 23.68 ? 202 LYS B CB 1 ATOM 2051 C CG . LYS B 2 212 ? -17.693 -24.700 27.187 1.00 26.46 ? 202 LYS B CG 1 ATOM 2052 C CD . LYS B 2 212 ? -16.343 -24.078 27.549 1.00 29.50 ? 202 LYS B CD 1 ATOM 2053 C CE . LYS B 2 212 ? -15.579 -24.895 28.590 1.00 28.92 ? 202 LYS B CE 1 ATOM 2054 N NZ . LYS B 2 212 ? -14.406 -24.138 29.122 1.00 29.97 ? 202 LYS B NZ 1 ATOM 2055 N N . SER B 2 213 ? -21.251 -25.817 26.983 1.00 26.31 ? 203 SER B N 1 ATOM 2056 C CA . SER B 2 213 ? -22.205 -25.968 28.076 1.00 30.54 ? 203 SER B CA 1 ATOM 2057 C C . SER B 2 213 ? -21.606 -25.618 29.430 1.00 29.75 ? 203 SER B C 1 ATOM 2058 O O . SER B 2 213 ? -20.660 -26.249 29.894 1.00 30.73 ? 203 SER B O 1 ATOM 2059 C CB . SER B 2 213 ? -22.740 -27.392 28.152 1.00 37.56 ? 203 SER B CB 1 ATOM 2060 O OG . SER B 2 213 ? -23.267 -27.640 29.450 1.00 43.96 ? 203 SER B OG 1 ATOM 2061 N N . PRO B 2 214 ? -22.178 -24.619 30.096 1.00 28.30 ? 204 PRO B N 1 ATOM 2062 C CA . PRO B 2 214 ? -21.710 -24.173 31.403 1.00 28.89 ? 204 PRO B CA 1 ATOM 2063 C C . PRO B 2 214 ? -21.968 -25.238 32.446 1.00 31.04 ? 204 PRO B C 1 ATOM 2064 O O . PRO B 2 214 ? -21.528 -25.114 33.591 1.00 31.02 ? 204 PRO B O 1 ATOM 2065 C CB . PRO B 2 214 ? -22.546 -22.937 31.642 1.00 28.18 ? 204 PRO B CB 1 ATOM 2066 C CG . PRO B 2 214 ? -23.855 -23.334 31.019 1.00 28.30 ? 204 PRO B CG 1 ATOM 2067 C CD . PRO B 2 214 ? -23.419 -23.927 29.718 1.00 27.12 ? 204 PRO B CD 1 ATOM 2068 N N . PHE B 2 215 A -22.676 -26.287 32.028 1.00 33.70 ? 204 PHE B N 1 ATOM 2069 C CA . PHE B 2 215 A -23.049 -27.395 32.906 1.00 37.75 ? 204 PHE B CA 1 ATOM 2070 C C . PHE B 2 215 A -22.028 -28.520 33.020 1.00 37.21 ? 204 PHE B C 1 ATOM 2071 O O . PHE B 2 215 A -21.674 -28.930 34.124 1.00 38.98 ? 204 PHE B O 1 ATOM 2072 C CB . PHE B 2 215 A -24.366 -28.018 32.450 1.00 45.06 ? 204 PHE B CB 1 ATOM 2073 C CG . PHE B 2 215 A -25.463 -27.030 32.228 1.00 53.36 ? 204 PHE B CG 1 ATOM 2074 C CD1 . PHE B 2 215 A -25.942 -26.253 33.273 1.00 57.61 ? 204 PHE B CD1 1 ATOM 2075 C CD2 . PHE B 2 215 A -26.025 -26.876 30.963 1.00 56.76 ? 204 PHE B CD2 1 ATOM 2076 C CE1 . PHE B 2 215 A -26.974 -25.327 33.060 1.00 61.60 ? 204 PHE B CE1 1 ATOM 2077 C CE2 . PHE B 2 215 A -27.053 -25.957 30.738 1.00 59.53 ? 204 PHE B CE2 1 ATOM 2078 C CZ . PHE B 2 215 A -27.530 -25.180 31.787 1.00 60.60 ? 204 PHE B CZ 1 ATOM 2079 N N . ASN B 2 216 B -21.575 -29.056 31.895 1.00 34.29 ? 204 ASN B N 1 ATOM 2080 C CA . ASN B 2 216 B -20.618 -30.138 31.979 1.00 33.72 ? 204 ASN B CA 1 ATOM 2081 C C . ASN B 2 216 B -19.292 -29.757 31.370 1.00 34.30 ? 204 ASN B C 1 ATOM 2082 O O . ASN B 2 216 B -18.433 -30.606 31.138 1.00 35.05 ? 204 ASN B O 1 ATOM 2083 C CB . ASN B 2 216 B -21.174 -31.393 31.319 1.00 33.87 ? 204 ASN B CB 1 ATOM 2084 C CG . ASN B 2 216 B -21.346 -31.244 29.834 1.00 34.90 ? 204 ASN B CG 1 ATOM 2085 O OD1 . ASN B 2 216 B -21.895 -32.126 29.181 1.00 36.89 ? 204 ASN B OD1 1 ATOM 2086 N ND2 . ASN B 2 216 B -20.874 -30.133 29.283 1.00 34.82 ? 204 ASN B ND2 1 ATOM 2087 N N . ASN B 2 217 ? -19.152 -28.464 31.094 1.00 34.76 ? 205 ASN B N 1 ATOM 2088 C CA . ASN B 2 217 ? -17.926 -27.887 30.549 1.00 33.07 ? 205 ASN B CA 1 ATOM 2089 C C . ASN B 2 217 ? -17.452 -28.375 29.178 1.00 29.35 ? 205 ASN B C 1 ATOM 2090 O O . ASN B 2 217 ? -16.322 -28.097 28.797 1.00 25.76 ? 205 ASN B O 1 ATOM 2091 C CB . ASN B 2 217 ? -16.809 -28.072 31.576 1.00 36.33 ? 205 ASN B CB 1 ATOM 2092 C CG . ASN B 2 217 ? -15.937 -26.856 31.703 1.00 39.70 ? 205 ASN B CG 1 ATOM 2093 O OD1 . ASN B 2 217 ? -16.435 -25.733 31.784 1.00 40.41 ? 205 ASN B OD1 1 ATOM 2094 N ND2 . ASN B 2 217 ? -14.622 -27.067 31.737 1.00 43.83 ? 205 ASN B ND2 1 ATOM 2095 N N . ARG B 2 218 ? -18.311 -29.082 28.445 1.00 27.79 ? 206 ARG B N 1 ATOM 2096 C CA . ARG B 2 218 ? -17.978 -29.602 27.113 1.00 28.88 ? 206 ARG B CA 1 ATOM 2097 C C . ARG B 2 218 ? -18.520 -28.750 25.955 1.00 28.26 ? 206 ARG B C 1 ATOM 2098 O O . ARG B 2 218 ? -19.570 -28.103 26.072 1.00 29.91 ? 206 ARG B O 1 ATOM 2099 C CB . ARG B 2 218 ? -18.550 -30.996 26.927 1.00 32.65 ? 206 ARG B CB 1 ATOM 2100 C CG . ARG B 2 218 ? -18.053 -32.062 27.852 1.00 39.32 ? 206 ARG B CG 1 ATOM 2101 C CD . ARG B 2 218 ? -19.021 -33.234 27.771 1.00 44.20 ? 206 ARG B CD 1 ATOM 2102 N NE . ARG B 2 218 ? -18.605 -34.361 28.594 1.00 49.96 ? 206 ARG B NE 1 ATOM 2103 C CZ . ARG B 2 218 ? -17.734 -35.281 28.201 1.00 53.86 ? 206 ARG B CZ 1 ATOM 2104 N NH1 . ARG B 2 218 ? -17.195 -35.206 26.989 1.00 56.07 ? 206 ARG B NH1 1 ATOM 2105 N NH2 . ARG B 2 218 ? -17.394 -36.268 29.023 1.00 55.66 ? 206 ARG B NH2 1 ATOM 2106 N N . TRP B 2 219 ? -17.825 -28.791 24.817 1.00 24.92 ? 207 TRP B N 1 ATOM 2107 C CA . TRP B 2 219 ? -18.243 -28.030 23.644 1.00 23.29 ? 207 TRP B CA 1 ATOM 2108 C C . TRP B 2 219 ? -19.203 -28.785 22.730 1.00 23.47 ? 207 TRP B C 1 ATOM 2109 O O . TRP B 2 219 ? -18.954 -29.924 22.342 1.00 25.02 ? 207 TRP B O 1 ATOM 2110 C CB . TRP B 2 219 ? -17.025 -27.600 22.838 1.00 22.22 ? 207 TRP B CB 1 ATOM 2111 C CG . TRP B 2 219 ? -16.217 -26.532 23.490 1.00 21.56 ? 207 TRP B CG 1 ATOM 2112 C CD1 . TRP B 2 219 ? -15.283 -26.693 24.457 1.00 22.42 ? 207 TRP B CD1 1 ATOM 2113 C CD2 . TRP B 2 219 ? -16.260 -25.134 23.203 1.00 21.30 ? 207 TRP B CD2 1 ATOM 2114 N NE1 . TRP B 2 219 ? -14.730 -25.481 24.794 1.00 21.71 ? 207 TRP B NE1 1 ATOM 2115 C CE2 . TRP B 2 219 ? -15.319 -24.507 24.037 1.00 21.46 ? 207 TRP B CE2 1 ATOM 2116 C CE3 . TRP B 2 219 ? -17.009 -24.350 22.327 1.00 22.75 ? 207 TRP B CE3 1 ATOM 2117 C CZ2 . TRP B 2 219 ? -15.089 -23.138 24.006 1.00 23.85 ? 207 TRP B CZ2 1 ATOM 2118 C CZ3 . TRP B 2 219 ? -16.778 -22.984 22.300 1.00 23.79 ? 207 TRP B CZ3 1 ATOM 2119 C CH2 . TRP B 2 219 ? -15.833 -22.393 23.140 1.00 23.01 ? 207 TRP B CH2 1 ATOM 2120 N N . TYR B 2 220 ? -20.299 -28.140 22.370 1.00 22.83 ? 208 TYR B N 1 ATOM 2121 C CA . TYR B 2 220 ? -21.278 -28.770 21.497 1.00 24.55 ? 208 TYR B CA 1 ATOM 2122 C C . TYR B 2 220 ? -21.437 -28.001 20.189 1.00 25.30 ? 208 TYR B C 1 ATOM 2123 O O . TYR B 2 220 ? -21.357 -26.766 20.160 1.00 25.75 ? 208 TYR B O 1 ATOM 2124 C CB . TYR B 2 220 ? -22.632 -28.835 22.193 1.00 25.66 ? 208 TYR B CB 1 ATOM 2125 C CG . TYR B 2 220 ? -22.684 -29.712 23.415 1.00 23.81 ? 208 TYR B CG 1 ATOM 2126 C CD1 . TYR B 2 220 ? -22.940 -31.064 23.303 1.00 23.41 ? 208 TYR B CD1 1 ATOM 2127 C CD2 . TYR B 2 220 ? -22.520 -29.177 24.689 1.00 22.57 ? 208 TYR B CD2 1 ATOM 2128 C CE1 . TYR B 2 220 ? -23.042 -31.861 24.428 1.00 24.79 ? 208 TYR B CE1 1 ATOM 2129 C CE2 . TYR B 2 220 ? -22.616 -29.968 25.817 1.00 19.47 ? 208 TYR B CE2 1 ATOM 2130 C CZ . TYR B 2 220 ? -22.878 -31.304 25.680 1.00 21.79 ? 208 TYR B CZ 1 ATOM 2131 O OH . TYR B 2 220 ? -22.989 -32.089 26.793 1.00 23.10 ? 208 TYR B OH 1 ATOM 2132 N N . GLN B 2 221 ? -21.677 -28.740 19.111 1.00 24.87 ? 209 GLN B N 1 ATOM 2133 C CA . GLN B 2 221 ? -21.855 -28.139 17.796 1.00 23.93 ? 209 GLN B CA 1 ATOM 2134 C C . GLN B 2 221 ? -23.327 -27.993 17.486 1.00 23.33 ? 209 GLN B C 1 ATOM 2135 O O . GLN B 2 221 ? -23.967 -28.935 17.039 1.00 24.80 ? 209 GLN B O 1 ATOM 2136 C CB . GLN B 2 221 ? -21.202 -28.999 16.718 1.00 22.30 ? 209 GLN B CB 1 ATOM 2137 C CG . GLN B 2 221 ? -21.362 -28.424 15.337 1.00 19.45 ? 209 GLN B CG 1 ATOM 2138 C CD . GLN B 2 221 ? -20.738 -29.284 14.271 1.00 19.80 ? 209 GLN B CD 1 ATOM 2139 O OE1 . GLN B 2 221 ? -20.696 -28.896 13.107 1.00 24.28 ? 209 GLN B OE1 1 ATOM 2140 N NE2 . GLN B 2 221 ? -20.253 -30.460 14.655 1.00 17.69 ? 209 GLN B NE2 1 ATOM 2141 N N . MET B 2 222 ? -23.865 -26.806 17.714 1.00 22.86 ? 210 MET B N 1 ATOM 2142 C CA . MET B 2 222 ? -25.272 -26.585 17.458 1.00 22.25 ? 210 MET B CA 1 ATOM 2143 C C . MET B 2 222 ? -25.571 -26.439 15.975 1.00 24.73 ? 210 MET B C 1 ATOM 2144 O O . MET B 2 222 ? -26.599 -26.927 15.508 1.00 30.36 ? 210 MET B O 1 ATOM 2145 C CB . MET B 2 222 ? -25.764 -25.367 18.233 1.00 18.94 ? 210 MET B CB 1 ATOM 2146 C CG . MET B 2 222 ? -25.403 -25.431 19.698 1.00 20.28 ? 210 MET B CG 1 ATOM 2147 S SD . MET B 2 222 ? -25.545 -27.104 20.304 1.00 20.93 ? 210 MET B SD 1 ATOM 2148 C CE . MET B 2 222 ? -27.022 -27.009 21.276 1.00 25.22 ? 210 MET B CE 1 ATOM 2149 N N . GLY B 2 223 ? -24.690 -25.797 15.216 1.00 23.41 ? 211 GLY B N 1 ATOM 2150 C CA . GLY B 2 223 ? -24.980 -25.671 13.797 1.00 25.05 ? 211 GLY B CA 1 ATOM 2151 C C . GLY B 2 223 ? -23.872 -25.942 12.785 1.00 24.52 ? 211 GLY B C 1 ATOM 2152 O O . GLY B 2 223 ? -22.730 -26.259 13.134 1.00 26.67 ? 211 GLY B O 1 ATOM 2153 N N . ILE B 2 224 ? -24.226 -25.845 11.507 1.00 22.07 ? 212 ILE B N 1 ATOM 2154 C CA . ILE B 2 224 ? -23.247 -26.010 10.452 1.00 19.93 ? 212 ILE B CA 1 ATOM 2155 C C . ILE B 2 224 ? -23.398 -24.856 9.488 1.00 19.59 ? 212 ILE B C 1 ATOM 2156 O O . ILE B 2 224 ? -24.489 -24.595 8.976 1.00 17.08 ? 212 ILE B O 1 ATOM 2157 C CB . ILE B 2 224 ? -23.426 -27.285 9.671 1.00 21.15 ? 212 ILE B CB 1 ATOM 2158 C CG1 . ILE B 2 224 ? -23.393 -28.484 10.615 1.00 20.90 ? 212 ILE B CG1 1 ATOM 2159 C CG2 . ILE B 2 224 ? -22.297 -27.391 8.641 1.00 20.57 ? 212 ILE B CG2 1 ATOM 2160 C CD1 . ILE B 2 224 ? -23.620 -29.815 9.904 1.00 24.23 ? 212 ILE B CD1 1 ATOM 2161 N N . VAL B 2 225 ? -22.286 -24.169 9.260 1.00 19.59 ? 213 VAL B N 1 ATOM 2162 C CA . VAL B 2 225 ? -22.247 -23.016 8.380 1.00 21.50 ? 213 VAL B CA 1 ATOM 2163 C C . VAL B 2 225 ? -22.834 -23.377 7.030 1.00 23.61 ? 213 VAL B C 1 ATOM 2164 O O . VAL B 2 225 ? -22.189 -24.067 6.234 1.00 24.23 ? 213 VAL B O 1 ATOM 2165 C CB . VAL B 2 225 ? -20.800 -22.517 8.218 1.00 19.42 ? 213 VAL B CB 1 ATOM 2166 C CG1 . VAL B 2 225 ? -20.662 -21.708 6.967 1.00 21.69 ? 213 VAL B CG1 1 ATOM 2167 C CG2 . VAL B 2 225 ? -20.424 -21.657 9.406 1.00 18.87 ? 213 VAL B CG2 1 ATOM 2168 N N . SER B 2 226 ? -24.059 -22.913 6.774 1.00 26.03 ? 214 SER B N 1 ATOM 2169 C CA . SER B 2 226 ? -24.732 -23.217 5.515 1.00 27.55 ? 214 SER B CA 1 ATOM 2170 C C . SER B 2 226 ? -24.795 -22.099 4.505 1.00 28.21 ? 214 SER B C 1 ATOM 2171 O O . SER B 2 226 ? -24.061 -22.108 3.529 1.00 29.76 ? 214 SER B O 1 ATOM 2172 C CB . SER B 2 226 ? -26.156 -23.701 5.751 1.00 27.02 ? 214 SER B CB 1 ATOM 2173 O OG . SER B 2 226 ? -26.791 -23.881 4.499 1.00 22.85 ? 214 SER B OG 1 ATOM 2174 N N . TRP B 2 227 ? -25.681 -21.139 4.720 1.00 28.52 ? 215 TRP B N 1 ATOM 2175 C CA . TRP B 2 227 ? -25.804 -20.066 3.757 1.00 30.43 ? 215 TRP B CA 1 ATOM 2176 C C . TRP B 2 227 ? -26.088 -18.708 4.318 1.00 31.45 ? 215 TRP B C 1 ATOM 2177 O O . TRP B 2 227 ? -26.297 -18.533 5.510 1.00 33.46 ? 215 TRP B O 1 ATOM 2178 C CB . TRP B 2 227 ? -26.916 -20.374 2.781 1.00 31.34 ? 215 TRP B CB 1 ATOM 2179 C CG . TRP B 2 227 ? -28.248 -20.466 3.435 1.00 30.76 ? 215 TRP B CG 1 ATOM 2180 C CD1 . TRP B 2 227 ? -28.805 -21.573 3.991 1.00 32.04 ? 215 TRP B CD1 1 ATOM 2181 C CD2 . TRP B 2 227 ? -29.212 -19.417 3.576 1.00 31.93 ? 215 TRP B CD2 1 ATOM 2182 N NE1 . TRP B 2 227 ? -30.064 -21.287 4.466 1.00 33.26 ? 215 TRP B NE1 1 ATOM 2183 C CE2 . TRP B 2 227 ? -30.337 -19.966 4.225 1.00 33.67 ? 215 TRP B CE2 1 ATOM 2184 C CE3 . TRP B 2 227 ? -29.235 -18.064 3.218 1.00 34.20 ? 215 TRP B CE3 1 ATOM 2185 C CZ2 . TRP B 2 227 ? -31.478 -19.213 4.520 1.00 35.85 ? 215 TRP B CZ2 1 ATOM 2186 C CZ3 . TRP B 2 227 ? -30.373 -17.310 3.512 1.00 36.15 ? 215 TRP B CZ3 1 ATOM 2187 C CH2 . TRP B 2 227 ? -31.476 -17.889 4.157 1.00 36.67 ? 215 TRP B CH2 1 ATOM 2188 N N . GLY B 2 228 ? -26.134 -17.749 3.408 1.00 32.32 ? 216 GLY B N 1 ATOM 2189 C CA . GLY B 2 228 ? -26.416 -16.384 3.783 1.00 34.89 ? 216 GLY B CA 1 ATOM 2190 C C . GLY B 2 228 ? -26.298 -15.502 2.566 1.00 34.43 ? 216 GLY B C 1 ATOM 2191 O O . GLY B 2 228 ? -25.725 -15.911 1.559 1.00 35.73 ? 216 GLY B O 1 ATOM 2192 N N . GLU B 2 229 ? -26.850 -14.299 2.645 1.00 32.55 ? 217 GLU B N 1 ATOM 2193 C CA . GLU B 2 229 ? -26.765 -13.371 1.535 1.00 31.37 ? 217 GLU B CA 1 ATOM 2194 C C . GLU B 2 229 ? -25.721 -12.337 1.911 1.00 29.43 ? 217 GLU B C 1 ATOM 2195 O O . GLU B 2 229 ? -25.821 -11.701 2.946 1.00 30.08 ? 217 GLU B O 1 ATOM 2196 C CB . GLU B 2 229 ? -28.128 -12.737 1.304 1.00 34.10 ? 217 GLU B CB 1 ATOM 2197 C CG . GLU B 2 229 ? -29.160 -13.729 0.786 1.00 35.62 ? 217 GLU B CG 1 ATOM 2198 C CD . GLU B 2 229 ? -30.569 -13.204 0.909 1.00 37.22 ? 217 GLU B CD 1 ATOM 2199 O OE1 . GLU B 2 229 ? -30.985 -12.939 2.048 1.00 41.24 ? 217 GLU B OE1 1 ATOM 2200 O OE2 . GLU B 2 229 ? -31.260 -13.052 -0.117 1.00 37.75 ? 217 GLU B OE2 1 ATOM 2201 N N . GLY B 2 230 ? -24.702 -12.186 1.081 1.00 29.58 ? 219 GLY B N 1 ATOM 2202 C CA . GLY B 2 230 ? -23.650 -11.242 1.402 1.00 30.60 ? 219 GLY B CA 1 ATOM 2203 C C . GLY B 2 230 ? -22.852 -11.748 2.588 1.00 30.73 ? 219 GLY B C 1 ATOM 2204 O O . GLY B 2 230 ? -22.811 -12.945 2.851 1.00 30.79 ? 219 GLY B O 1 ATOM 2205 N N . CYS B 2 231 ? -22.209 -10.835 3.299 1.00 32.09 ? 220 CYS B N 1 ATOM 2206 C CA . CYS B 2 231 ? -21.429 -11.196 4.468 1.00 35.96 ? 220 CYS B CA 1 ATOM 2207 C C . CYS B 2 231 ? -21.267 -10.005 5.403 1.00 38.10 ? 220 CYS B C 1 ATOM 2208 O O . CYS B 2 231 ? -20.674 -8.981 5.046 1.00 38.75 ? 220 CYS B O 1 ATOM 2209 C CB . CYS B 2 231 ? -20.049 -11.736 4.063 1.00 38.02 ? 220 CYS B CB 1 ATOM 2210 S SG . CYS B 2 231 ? -20.082 -13.373 3.261 1.00 40.13 ? 220 CYS B SG 1 ATOM 2211 N N . ASP B 2 232 ? -21.811 -10.149 6.606 1.00 38.77 ? 221 ASP B N 1 ATOM 2212 C CA . ASP B 2 232 ? -21.727 -9.106 7.608 1.00 38.87 ? 221 ASP B CA 1 ATOM 2213 C C . ASP B 2 232 ? -22.605 -7.960 7.162 1.00 39.87 ? 221 ASP B C 1 ATOM 2214 O O . ASP B 2 232 ? -22.383 -6.826 7.567 1.00 40.88 ? 221 ASP B O 1 ATOM 2215 C CB . ASP B 2 232 ? -20.276 -8.635 7.753 1.00 38.37 ? 221 ASP B CB 1 ATOM 2216 C CG . ASP B 2 232 ? -19.983 -8.046 9.117 1.00 39.19 ? 221 ASP B CG 1 ATOM 2217 O OD1 . ASP B 2 232 ? -20.347 -8.666 10.133 1.00 40.43 ? 221 ASP B OD1 1 ATOM 2218 O OD2 . ASP B 2 232 ? -19.370 -6.967 9.182 1.00 39.97 ? 221 ASP B OD2 1 ATOM 2219 N N . ARG B 2 233 A -23.597 -8.261 6.323 1.00 41.10 ? 221 ARG B N 1 ATOM 2220 C CA . ARG B 2 233 A -24.524 -7.238 5.828 1.00 42.77 ? 221 ARG B CA 1 ATOM 2221 C C . ARG B 2 233 A -25.482 -6.794 6.923 1.00 43.67 ? 221 ARG B C 1 ATOM 2222 O O . ARG B 2 233 A -26.203 -7.617 7.488 1.00 43.23 ? 221 ARG B O 1 ATOM 2223 C CB . ARG B 2 233 A -25.381 -7.755 4.667 1.00 42.63 ? 221 ARG B CB 1 ATOM 2224 C CG . ARG B 2 233 A -24.733 -7.838 3.287 1.00 42.39 ? 221 ARG B CG 1 ATOM 2225 C CD . ARG B 2 233 A -25.845 -7.909 2.229 1.00 39.39 ? 221 ARG B CD 1 ATOM 2226 N NE . ARG B 2 233 A -25.462 -8.528 0.959 1.00 36.98 ? 221 ARG B NE 1 ATOM 2227 C CZ . ARG B 2 233 A -24.489 -8.099 0.160 1.00 35.59 ? 221 ARG B CZ 1 ATOM 2228 N NH1 . ARG B 2 233 A -23.762 -7.035 0.487 1.00 33.88 ? 221 ARG B NH1 1 ATOM 2229 N NH2 . ARG B 2 233 A -24.262 -8.728 -0.986 1.00 32.82 ? 221 ARG B NH2 1 ATOM 2230 N N . LYS B 2 234 ? -25.499 -5.495 7.207 1.00 43.45 ? 222 LYS B N 1 ATOM 2231 C CA . LYS B 2 234 ? -26.390 -4.943 8.220 1.00 43.85 ? 222 LYS B CA 1 ATOM 2232 C C . LYS B 2 234 ? -27.834 -5.358 7.910 1.00 43.84 ? 222 LYS B C 1 ATOM 2233 O O . LYS B 2 234 ? -28.272 -5.322 6.756 1.00 43.54 ? 222 LYS B O 1 ATOM 2234 C CB . LYS B 2 234 ? -26.271 -3.414 8.241 1.00 46.35 ? 222 LYS B CB 1 ATOM 2235 C CG . LYS B 2 234 ? -24.969 -2.887 8.841 1.00 49.99 ? 222 LYS B CG 1 ATOM 2236 C CD . LYS B 2 234 ? -24.440 -1.644 8.108 1.00 52.76 ? 222 LYS B CD 1 ATOM 2237 C CE . LYS B 2 234 ? -23.257 -1.011 8.859 1.00 55.75 ? 222 LYS B CE 1 ATOM 2238 N NZ . LYS B 2 234 ? -22.422 -0.074 8.035 1.00 54.00 ? 222 LYS B NZ 1 ATOM 2239 N N . GLY B 2 235 ? -28.572 -5.753 8.944 1.00 44.47 ? 223 GLY B N 1 ATOM 2240 C CA . GLY B 2 235 ? -29.947 -6.180 8.751 1.00 43.72 ? 223 GLY B CA 1 ATOM 2241 C C . GLY B 2 235 ? -30.014 -7.574 8.150 1.00 42.93 ? 223 GLY B C 1 ATOM 2242 O O . GLY B 2 235 ? -31.096 -8.080 7.833 1.00 42.67 ? 223 GLY B O 1 ATOM 2243 N N . LYS B 2 236 ? -28.844 -8.194 8.003 1.00 40.71 ? 224 LYS B N 1 ATOM 2244 C CA . LYS B 2 236 ? -28.727 -9.529 7.433 1.00 38.94 ? 224 LYS B CA 1 ATOM 2245 C C . LYS B 2 236 ? -27.985 -10.497 8.355 1.00 36.54 ? 224 LYS B C 1 ATOM 2246 O O . LYS B 2 236 ? -26.884 -10.208 8.825 1.00 35.81 ? 224 LYS B O 1 ATOM 2247 C CB . LYS B 2 236 ? -28.005 -9.443 6.095 1.00 41.13 ? 224 LYS B CB 1 ATOM 2248 C CG . LYS B 2 236 ? -28.824 -8.830 4.977 1.00 43.22 ? 224 LYS B CG 1 ATOM 2249 C CD . LYS B 2 236 ? -29.968 -9.738 4.583 1.00 44.86 ? 224 LYS B CD 1 ATOM 2250 C CE . LYS B 2 236 ? -30.465 -9.386 3.196 1.00 47.14 ? 224 LYS B CE 1 ATOM 2251 N NZ . LYS B 2 236 ? -31.627 -10.231 2.834 1.00 49.77 ? 224 LYS B NZ 1 ATOM 2252 N N . TYR B 2 237 ? -28.589 -11.657 8.581 1.00 33.88 ? 225 TYR B N 1 ATOM 2253 C CA . TYR B 2 237 ? -28.021 -12.672 9.451 1.00 32.40 ? 225 TYR B CA 1 ATOM 2254 C C . TYR B 2 237 ? -27.606 -13.916 8.697 1.00 33.46 ? 225 TYR B C 1 ATOM 2255 O O . TYR B 2 237 ? -28.114 -14.195 7.614 1.00 34.35 ? 225 TYR B O 1 ATOM 2256 C CB . TYR B 2 237 ? -29.052 -13.056 10.493 1.00 31.89 ? 225 TYR B CB 1 ATOM 2257 C CG . TYR B 2 237 ? -29.623 -11.862 11.190 1.00 32.98 ? 225 TYR B CG 1 ATOM 2258 C CD1 . TYR B 2 237 ? -28.834 -11.109 12.049 1.00 34.56 ? 225 TYR B CD1 1 ATOM 2259 C CD2 . TYR B 2 237 ? -30.928 -11.440 10.949 1.00 32.47 ? 225 TYR B CD2 1 ATOM 2260 C CE1 . TYR B 2 237 ? -29.323 -9.967 12.666 1.00 34.55 ? 225 TYR B CE1 1 ATOM 2261 C CE2 . TYR B 2 237 ? -31.430 -10.294 11.561 1.00 33.20 ? 225 TYR B CE2 1 ATOM 2262 C CZ . TYR B 2 237 ? -30.610 -9.559 12.414 1.00 34.24 ? 225 TYR B CZ 1 ATOM 2263 O OH . TYR B 2 237 ? -31.049 -8.408 13.019 1.00 36.00 ? 225 TYR B OH 1 ATOM 2264 N N . GLY B 2 238 ? -26.683 -14.669 9.283 1.00 34.46 ? 226 GLY B N 1 ATOM 2265 C CA . GLY B 2 238 ? -26.232 -15.896 8.655 1.00 34.42 ? 226 GLY B CA 1 ATOM 2266 C C . GLY B 2 238 ? -27.204 -17.029 8.933 1.00 33.27 ? 226 GLY B C 1 ATOM 2267 O O . GLY B 2 238 ? -28.072 -16.902 9.794 1.00 33.41 ? 226 GLY B O 1 ATOM 2268 N N . PHE B 2 239 ? -27.067 -18.134 8.205 1.00 31.88 ? 227 PHE B N 1 ATOM 2269 C CA . PHE B 2 239 ? -27.935 -19.295 8.394 1.00 31.03 ? 227 PHE B CA 1 ATOM 2270 C C . PHE B 2 239 ? -27.170 -20.606 8.534 1.00 26.96 ? 227 PHE B C 1 ATOM 2271 O O . PHE B 2 239 ? -26.413 -20.991 7.651 1.00 27.59 ? 227 PHE B O 1 ATOM 2272 C CB . PHE B 2 239 ? -28.919 -19.408 7.235 1.00 35.72 ? 227 PHE B CB 1 ATOM 2273 C CG . PHE B 2 239 ? -29.988 -18.366 7.258 1.00 40.04 ? 227 PHE B CG 1 ATOM 2274 C CD1 . PHE B 2 239 ? -29.714 -17.057 6.879 1.00 39.80 ? 227 PHE B CD1 1 ATOM 2275 C CD2 . PHE B 2 239 ? -31.271 -18.688 7.695 1.00 41.66 ? 227 PHE B CD2 1 ATOM 2276 C CE1 . PHE B 2 239 ? -30.706 -16.085 6.935 1.00 42.36 ? 227 PHE B CE1 1 ATOM 2277 C CE2 . PHE B 2 239 ? -32.265 -17.724 7.756 1.00 41.65 ? 227 PHE B CE2 1 ATOM 2278 C CZ . PHE B 2 239 ? -31.988 -16.424 7.377 1.00 42.41 ? 227 PHE B CZ 1 ATOM 2279 N N . TYR B 2 240 ? -27.365 -21.301 9.643 1.00 23.45 ? 228 TYR B N 1 ATOM 2280 C CA . TYR B 2 240 ? -26.663 -22.554 9.829 1.00 24.49 ? 228 TYR B CA 1 ATOM 2281 C C . TYR B 2 240 ? -27.652 -23.695 9.940 1.00 25.26 ? 228 TYR B C 1 ATOM 2282 O O . TYR B 2 240 ? -28.807 -23.508 10.328 1.00 26.88 ? 228 TYR B O 1 ATOM 2283 C CB . TYR B 2 240 ? -25.790 -22.513 11.083 1.00 25.67 ? 228 TYR B CB 1 ATOM 2284 C CG . TYR B 2 240 ? -24.956 -21.260 11.224 1.00 26.82 ? 228 TYR B CG 1 ATOM 2285 C CD1 . TYR B 2 240 ? -25.562 -20.042 11.466 1.00 30.55 ? 228 TYR B CD1 1 ATOM 2286 C CD2 . TYR B 2 240 ? -23.563 -21.293 11.143 1.00 24.84 ? 228 TYR B CD2 1 ATOM 2287 C CE1 . TYR B 2 240 ? -24.819 -18.884 11.622 1.00 30.05 ? 228 TYR B CE1 1 ATOM 2288 C CE2 . TYR B 2 240 ? -22.808 -20.135 11.300 1.00 23.55 ? 228 TYR B CE2 1 ATOM 2289 C CZ . TYR B 2 240 ? -23.453 -18.934 11.546 1.00 26.38 ? 228 TYR B CZ 1 ATOM 2290 O OH . TYR B 2 240 ? -22.772 -17.759 11.745 1.00 26.07 ? 228 TYR B OH 1 ATOM 2291 N N . THR B 2 241 ? -27.186 -24.886 9.594 1.00 23.42 ? 229 THR B N 1 ATOM 2292 C CA . THR B 2 241 ? -28.021 -26.065 9.644 1.00 23.08 ? 229 THR B CA 1 ATOM 2293 C C . THR B 2 241 ? -28.284 -26.410 11.084 1.00 20.62 ? 229 THR B C 1 ATOM 2294 O O . THR B 2 241 ? -27.356 -26.512 11.872 1.00 22.64 ? 229 THR B O 1 ATOM 2295 C CB . THR B 2 241 ? -27.317 -27.244 8.994 1.00 26.71 ? 229 THR B CB 1 ATOM 2296 O OG1 . THR B 2 241 ? -26.882 -26.865 7.683 1.00 30.32 ? 229 THR B OG1 1 ATOM 2297 C CG2 . THR B 2 241 ? -28.259 -28.441 8.897 1.00 28.76 ? 229 THR B CG2 1 ATOM 2298 N N . HIS B 2 242 ? -29.543 -26.592 11.438 1.00 17.24 ? 230 HIS B N 1 ATOM 2299 C CA . HIS B 2 242 ? -29.869 -26.936 12.812 1.00 17.32 ? 230 HIS B CA 1 ATOM 2300 C C . HIS B 2 242 ? -29.362 -28.348 13.027 1.00 18.01 ? 230 HIS B C 1 ATOM 2301 O O . HIS B 2 242 ? -29.958 -29.288 12.518 1.00 22.51 ? 230 HIS B O 1 ATOM 2302 C CB . HIS B 2 242 ? -31.375 -26.902 12.996 1.00 15.04 ? 230 HIS B CB 1 ATOM 2303 C CG . HIS B 2 242 ? -31.808 -26.833 14.422 1.00 13.98 ? 230 HIS B CG 1 ATOM 2304 N ND1 . HIS B 2 242 ? -31.510 -27.813 15.336 1.00 15.33 ? 230 HIS B ND1 1 ATOM 2305 C CD2 . HIS B 2 242 ? -32.543 -25.908 15.078 1.00 15.38 ? 230 HIS B CD2 1 ATOM 2306 C CE1 . HIS B 2 242 ? -32.047 -27.498 16.502 1.00 17.79 ? 230 HIS B CE1 1 ATOM 2307 N NE2 . HIS B 2 242 ? -32.680 -26.348 16.372 1.00 18.36 ? 230 HIS B NE2 1 ATOM 2308 N N . VAL B 2 243 ? -28.274 -28.522 13.767 1.00 16.17 ? 231 VAL B N 1 ATOM 2309 C CA . VAL B 2 243 ? -27.760 -29.870 13.958 1.00 17.51 ? 231 VAL B CA 1 ATOM 2310 C C . VAL B 2 243 ? -28.683 -30.779 14.739 1.00 21.24 ? 231 VAL B C 1 ATOM 2311 O O . VAL B 2 243 ? -28.952 -31.898 14.329 1.00 23.48 ? 231 VAL B O 1 ATOM 2312 C CB . VAL B 2 243 ? -26.413 -29.871 14.659 1.00 14.87 ? 231 VAL B CB 1 ATOM 2313 C CG1 . VAL B 2 243 ? -26.050 -31.280 15.087 1.00 11.09 ? 231 VAL B CG1 1 ATOM 2314 C CG2 . VAL B 2 243 ? -25.366 -29.342 13.724 1.00 18.88 ? 231 VAL B CG2 1 ATOM 2315 N N . PHE B 2 244 ? -29.186 -30.305 15.863 1.00 24.19 ? 232 PHE B N 1 ATOM 2316 C CA . PHE B 2 244 ? -30.046 -31.150 16.667 1.00 26.13 ? 232 PHE B CA 1 ATOM 2317 C C . PHE B 2 244 ? -31.224 -31.739 15.927 1.00 26.08 ? 232 PHE B C 1 ATOM 2318 O O . PHE B 2 244 ? -31.603 -32.870 16.198 1.00 25.38 ? 232 PHE B O 1 ATOM 2319 C CB . PHE B 2 244 ? -30.555 -30.398 17.894 1.00 29.01 ? 232 PHE B CB 1 ATOM 2320 C CG . PHE B 2 244 ? -31.439 -31.226 18.781 1.00 30.70 ? 232 PHE B CG 1 ATOM 2321 C CD1 . PHE B 2 244 ? -31.102 -32.540 19.084 1.00 31.99 ? 232 PHE B CD1 1 ATOM 2322 C CD2 . PHE B 2 244 ? -32.601 -30.693 19.318 1.00 32.00 ? 232 PHE B CD2 1 ATOM 2323 C CE1 . PHE B 2 244 ? -31.910 -33.308 19.907 1.00 34.12 ? 232 PHE B CE1 1 ATOM 2324 C CE2 . PHE B 2 244 ? -33.415 -31.458 20.145 1.00 34.62 ? 232 PHE B CE2 1 ATOM 2325 C CZ . PHE B 2 244 ? -33.069 -32.766 20.438 1.00 34.64 ? 232 PHE B CZ 1 ATOM 2326 N N . ARG B 2 245 ? -31.811 -30.983 15.004 1.00 28.46 ? 233 ARG B N 1 ATOM 2327 C CA . ARG B 2 245 ? -32.971 -31.475 14.260 1.00 32.70 ? 233 ARG B CA 1 ATOM 2328 C C . ARG B 2 245 ? -32.626 -32.670 13.360 1.00 30.13 ? 233 ARG B C 1 ATOM 2329 O O . ARG B 2 245 ? -33.415 -33.609 13.229 1.00 30.67 ? 233 ARG B O 1 ATOM 2330 C CB . ARG B 2 245 ? -33.602 -30.346 13.423 1.00 38.58 ? 233 ARG B CB 1 ATOM 2331 C CG . ARG B 2 245 ? -34.187 -29.172 14.228 1.00 45.18 ? 233 ARG B CG 1 ATOM 2332 C CD . ARG B 2 245 ? -35.554 -29.474 14.851 1.00 52.81 ? 233 ARG B CD 1 ATOM 2333 N NE . ARG B 2 245 ? -35.768 -28.722 16.097 1.00 60.15 ? 233 ARG B NE 1 ATOM 2334 C CZ . ARG B 2 245 ? -35.810 -27.390 16.195 1.00 61.84 ? 233 ARG B CZ 1 ATOM 2335 N NH1 . ARG B 2 245 ? -36.002 -26.808 17.377 1.00 61.76 ? 233 ARG B NH1 1 ATOM 2336 N NH2 . ARG B 2 245 ? -35.671 -26.634 15.113 1.00 61.91 ? 233 ARG B NH2 1 ATOM 2337 N N . LEU B 2 246 ? -31.450 -32.653 12.746 1.00 26.35 ? 234 LEU B N 1 ATOM 2338 C CA . LEU B 2 246 ? -31.060 -33.762 11.891 1.00 25.42 ? 234 LEU B CA 1 ATOM 2339 C C . LEU B 2 246 ? -30.360 -34.874 12.660 1.00 27.20 ? 234 LEU B C 1 ATOM 2340 O O . LEU B 2 246 ? -29.860 -35.828 12.073 1.00 27.88 ? 234 LEU B O 1 ATOM 2341 C CB . LEU B 2 246 ? -30.162 -33.259 10.781 1.00 20.44 ? 234 LEU B CB 1 ATOM 2342 C CG . LEU B 2 246 ? -30.940 -32.610 9.656 1.00 19.03 ? 234 LEU B CG 1 ATOM 2343 C CD1 . LEU B 2 246 ? -32.046 -31.747 10.201 1.00 21.27 ? 234 LEU B CD1 1 ATOM 2344 C CD2 . LEU B 2 246 ? -29.985 -31.806 8.829 1.00 22.87 ? 234 LEU B CD2 1 ATOM 2345 N N . LYS B 2 247 ? -30.314 -34.745 13.979 1.00 28.55 ? 235 LYS B N 1 ATOM 2346 C CA . LYS B 2 247 ? -29.690 -35.754 14.820 1.00 29.47 ? 235 LYS B CA 1 ATOM 2347 C C . LYS B 2 247 ? -30.192 -37.094 14.326 1.00 30.66 ? 235 LYS B C 1 ATOM 2348 O O . LYS B 2 247 ? -29.413 -37.978 13.987 1.00 28.21 ? 235 LYS B O 1 ATOM 2349 C CB . LYS B 2 247 ? -30.128 -35.554 16.267 1.00 30.72 ? 235 LYS B CB 1 ATOM 2350 C CG . LYS B 2 247 ? -29.556 -36.545 17.268 1.00 32.29 ? 235 LYS B CG 1 ATOM 2351 C CD . LYS B 2 247 ? -28.072 -36.284 17.501 1.00 34.29 ? 235 LYS B CD 1 ATOM 2352 C CE . LYS B 2 247 ? -27.613 -36.809 18.856 1.00 33.57 ? 235 LYS B CE 1 ATOM 2353 N NZ . LYS B 2 247 ? -28.340 -36.120 19.964 1.00 33.87 ? 235 LYS B NZ 1 ATOM 2354 N N . ARG B 2 248 ? -31.515 -37.211 14.278 1.00 33.80 ? 236 ARG B N 1 ATOM 2355 C CA . ARG B 2 248 ? -32.189 -38.423 13.830 1.00 37.37 ? 236 ARG B CA 1 ATOM 2356 C C . ARG B 2 248 ? -31.445 -39.012 12.642 1.00 35.76 ? 236 ARG B C 1 ATOM 2357 O O . ARG B 2 248 ? -30.927 -40.119 12.703 1.00 35.70 ? 236 ARG B O 1 ATOM 2358 C CB . ARG B 2 248 ? -33.641 -38.098 13.446 1.00 44.14 ? 236 ARG B CB 1 ATOM 2359 C CG . ARG B 2 248 ? -34.399 -37.282 14.513 1.00 56.44 ? 236 ARG B CG 1 ATOM 2360 C CD . ARG B 2 248 ? -35.912 -37.571 14.553 1.00 66.15 ? 236 ARG B CD 1 ATOM 2361 N NE . ARG B 2 248 ? -36.390 -37.721 15.933 1.00 73.68 ? 236 ARG B NE 1 ATOM 2362 C CZ . ARG B 2 248 ? -37.553 -38.275 16.282 1.00 77.58 ? 236 ARG B CZ 1 ATOM 2363 N NH1 . ARG B 2 248 ? -38.382 -38.739 15.352 1.00 81.70 ? 236 ARG B NH1 1 ATOM 2364 N NH2 . ARG B 2 248 ? -37.879 -38.384 17.567 1.00 78.43 ? 236 ARG B NH2 1 ATOM 2365 N N . TRP B 2 249 ? -31.383 -38.248 11.564 1.00 34.42 ? 237 TRP B N 1 ATOM 2366 C CA . TRP B 2 249 ? -30.703 -38.677 10.350 1.00 33.08 ? 237 TRP B CA 1 ATOM 2367 C C . TRP B 2 249 ? -29.291 -39.133 10.646 1.00 34.30 ? 237 TRP B C 1 ATOM 2368 O O . TRP B 2 249 ? -28.892 -40.232 10.286 1.00 35.33 ? 237 TRP B O 1 ATOM 2369 C CB . TRP B 2 249 ? -30.654 -37.526 9.354 1.00 28.93 ? 237 TRP B CB 1 ATOM 2370 C CG . TRP B 2 249 ? -29.927 -37.842 8.124 1.00 23.16 ? 237 TRP B CG 1 ATOM 2371 C CD1 . TRP B 2 249 ? -30.341 -38.649 7.120 1.00 24.30 ? 237 TRP B CD1 1 ATOM 2372 C CD2 . TRP B 2 249 ? -28.655 -37.345 7.747 1.00 22.90 ? 237 TRP B CD2 1 ATOM 2373 N NE1 . TRP B 2 249 ? -29.401 -38.690 6.125 1.00 26.18 ? 237 TRP B NE1 1 ATOM 2374 C CE2 . TRP B 2 249 ? -28.346 -37.892 6.487 1.00 24.84 ? 237 TRP B CE2 1 ATOM 2375 C CE3 . TRP B 2 249 ? -27.733 -36.486 8.352 1.00 24.31 ? 237 TRP B CE3 1 ATOM 2376 C CZ2 . TRP B 2 249 ? -27.159 -37.606 5.807 1.00 26.27 ? 237 TRP B CZ2 1 ATOM 2377 C CZ3 . TRP B 2 249 ? -26.549 -36.196 7.679 1.00 26.30 ? 237 TRP B CZ3 1 ATOM 2378 C CH2 . TRP B 2 249 ? -26.273 -36.759 6.421 1.00 26.78 ? 237 TRP B CH2 1 ATOM 2379 N N . ILE B 2 250 ? -28.527 -38.270 11.292 1.00 35.90 ? 238 ILE B N 1 ATOM 2380 C CA . ILE B 2 250 ? -27.160 -38.602 11.635 1.00 37.55 ? 238 ILE B CA 1 ATOM 2381 C C . ILE B 2 250 ? -27.145 -40.000 12.244 1.00 38.82 ? 238 ILE B C 1 ATOM 2382 O O . ILE B 2 250 ? -26.358 -40.863 11.843 1.00 37.43 ? 238 ILE B O 1 ATOM 2383 C CB . ILE B 2 250 ? -26.612 -37.605 12.663 1.00 38.76 ? 238 ILE B CB 1 ATOM 2384 C CG1 . ILE B 2 250 ? -26.682 -36.195 12.092 1.00 38.35 ? 238 ILE B CG1 1 ATOM 2385 C CG2 . ILE B 2 250 ? -25.183 -37.965 13.039 1.00 39.46 ? 238 ILE B CG2 1 ATOM 2386 C CD1 . ILE B 2 250 ? -26.200 -35.143 13.045 1.00 39.91 ? 238 ILE B CD1 1 ATOM 2387 N N . GLN B 2 251 ? -28.040 -40.206 13.210 1.00 40.46 ? 239 GLN B N 1 ATOM 2388 C CA . GLN B 2 251 ? -28.168 -41.478 13.923 1.00 40.47 ? 239 GLN B CA 1 ATOM 2389 C C . GLN B 2 251 ? -28.340 -42.607 12.937 1.00 39.53 ? 239 GLN B C 1 ATOM 2390 O O . GLN B 2 251 ? -27.561 -43.557 12.919 1.00 37.91 ? 239 GLN B O 1 ATOM 2391 C CB . GLN B 2 251 ? -29.379 -41.436 14.859 1.00 42.87 ? 239 GLN B CB 1 ATOM 2392 C CG . GLN B 2 251 ? -29.693 -42.743 15.571 1.00 43.34 ? 239 GLN B CG 1 ATOM 2393 C CD . GLN B 2 251 ? -29.710 -42.575 17.072 1.00 43.20 ? 239 GLN B CD 1 ATOM 2394 O OE1 . GLN B 2 251 ? -30.330 -43.351 17.795 1.00 42.72 ? 239 GLN B OE1 1 ATOM 2395 N NE2 . GLN B 2 251 ? -29.014 -41.559 17.550 1.00 44.00 ? 239 GLN B NE2 1 ATOM 2396 N N . LYS B 2 252 ? -29.375 -42.480 12.116 1.00 39.66 ? 240 LYS B N 1 ATOM 2397 C CA . LYS B 2 252 ? -29.705 -43.466 11.107 1.00 40.15 ? 240 LYS B CA 1 ATOM 2398 C C . LYS B 2 252 ? -28.447 -43.865 10.366 1.00 39.08 ? 240 LYS B C 1 ATOM 2399 O O . LYS B 2 252 ? -27.991 -45.000 10.464 1.00 38.91 ? 240 LYS B O 1 ATOM 2400 C CB . LYS B 2 252 ? -30.719 -42.880 10.129 1.00 43.14 ? 240 LYS B CB 1 ATOM 2401 C CG . LYS B 2 252 ? -31.406 -43.904 9.237 1.00 49.45 ? 240 LYS B CG 1 ATOM 2402 C CD . LYS B 2 252 ? -32.283 -43.238 8.155 1.00 54.17 ? 240 LYS B CD 1 ATOM 2403 C CE . LYS B 2 252 ? -33.372 -42.310 8.727 1.00 55.72 ? 240 LYS B CE 1 ATOM 2404 N NZ . LYS B 2 252 ? -34.410 -43.024 9.544 1.00 57.57 ? 240 LYS B NZ 1 ATOM 2405 N N . VAL B 2 253 ? -27.871 -42.918 9.642 1.00 39.01 ? 241 VAL B N 1 ATOM 2406 C CA . VAL B 2 253 ? -26.676 -43.204 8.876 1.00 40.03 ? 241 VAL B CA 1 ATOM 2407 C C . VAL B 2 253 ? -25.617 -43.931 9.694 1.00 42.70 ? 241 VAL B C 1 ATOM 2408 O O . VAL B 2 253 ? -25.376 -45.113 9.449 1.00 44.57 ? 241 VAL B O 1 ATOM 2409 C CB . VAL B 2 253 ? -26.094 -41.930 8.262 1.00 38.03 ? 241 VAL B CB 1 ATOM 2410 C CG1 . VAL B 2 253 ? -24.952 -42.274 7.321 1.00 33.95 ? 241 VAL B CG1 1 ATOM 2411 C CG2 . VAL B 2 253 ? -27.186 -41.200 7.504 1.00 38.55 ? 241 VAL B CG2 1 ATOM 2412 N N . ILE B 2 254 ? -24.999 -43.269 10.671 1.00 45.07 ? 242 ILE B N 1 ATOM 2413 C CA . ILE B 2 254 ? -23.963 -43.955 11.453 1.00 46.87 ? 242 ILE B CA 1 ATOM 2414 C C . ILE B 2 254 ? -24.350 -45.369 11.866 1.00 48.55 ? 242 ILE B C 1 ATOM 2415 O O . ILE B 2 254 ? -23.605 -46.310 11.609 1.00 50.58 ? 242 ILE B O 1 ATOM 2416 C CB . ILE B 2 254 ? -23.551 -43.193 12.740 1.00 46.19 ? 242 ILE B CB 1 ATOM 2417 C CG1 . ILE B 2 254 ? -22.466 -42.170 12.422 1.00 44.10 ? 242 ILE B CG1 1 ATOM 2418 C CG2 . ILE B 2 254 ? -22.996 -44.166 13.772 1.00 45.34 ? 242 ILE B CG2 1 ATOM 2419 C CD1 . ILE B 2 254 ? -22.969 -40.994 11.660 1.00 45.94 ? 242 ILE B CD1 1 ATOM 2420 N N . ASP B 2 255 ? -25.507 -45.528 12.498 1.00 48.81 ? 243 ASP B N 1 ATOM 2421 C CA . ASP B 2 255 ? -25.923 -46.851 12.937 1.00 48.97 ? 243 ASP B CA 1 ATOM 2422 C C . ASP B 2 255 ? -26.021 -47.875 11.819 1.00 47.12 ? 243 ASP B C 1 ATOM 2423 O O . ASP B 2 255 ? -25.848 -49.063 12.058 1.00 48.63 ? 243 ASP B O 1 ATOM 2424 C CB . ASP B 2 255 ? -27.244 -46.772 13.699 1.00 54.18 ? 243 ASP B CB 1 ATOM 2425 C CG . ASP B 2 255 ? -27.092 -46.082 15.043 1.00 57.98 ? 243 ASP B CG 1 ATOM 2426 O OD1 . ASP B 2 255 ? -26.080 -46.358 15.720 1.00 59.98 ? 243 ASP B OD1 1 ATOM 2427 O OD2 . ASP B 2 255 ? -27.972 -45.275 15.427 1.00 60.03 ? 243 ASP B OD2 1 ATOM 2428 N N . GLN B 2 256 ? -26.284 -47.434 10.599 1.00 42.77 ? 244 GLN B N 1 ATOM 2429 C CA . GLN B 2 256 ? -26.364 -48.374 9.496 1.00 40.75 ? 244 GLN B CA 1 ATOM 2430 C C . GLN B 2 256 ? -25.237 -48.128 8.506 1.00 39.74 ? 244 GLN B C 1 ATOM 2431 O O . GLN B 2 256 ? -25.274 -48.617 7.381 1.00 37.59 ? 244 GLN B O 1 ATOM 2432 C CB . GLN B 2 256 ? -27.704 -48.244 8.785 1.00 43.03 ? 244 GLN B CB 1 ATOM 2433 C CG . GLN B 2 256 ? -27.824 -49.106 7.539 1.00 45.54 ? 244 GLN B CG 1 ATOM 2434 C CD . GLN B 2 256 ? -29.056 -48.785 6.722 1.00 46.40 ? 244 GLN B CD 1 ATOM 2435 O OE1 . GLN B 2 256 ? -29.279 -47.632 6.337 1.00 43.78 ? 244 GLN B OE1 1 ATOM 2436 N NE2 . GLN B 2 256 ? -29.866 -49.808 6.445 1.00 47.73 ? 244 GLN B NE2 1 ATOM 2437 N N . PHE B 2 257 ? -24.229 -47.374 8.927 1.00 40.62 ? 245 PHE B N 1 ATOM 2438 C CA . PHE B 2 257 ? -23.098 -47.066 8.058 1.00 42.93 ? 245 PHE B CA 1 ATOM 2439 C C . PHE B 2 257 ? -23.567 -46.712 6.658 1.00 45.61 ? 245 PHE B C 1 ATOM 2440 O O . PHE B 2 257 ? -22.882 -46.995 5.672 1.00 46.69 ? 245 PHE B O 1 ATOM 2441 C CB . PHE B 2 257 ? -22.150 -48.252 7.978 1.00 42.14 ? 245 PHE B CB 1 ATOM 2442 C CG . PHE B 2 257 ? -21.176 -48.315 9.099 1.00 42.14 ? 245 PHE B CG 1 ATOM 2443 C CD1 . PHE B 2 257 ? -21.555 -47.981 10.389 1.00 42.11 ? 245 PHE B CD1 1 ATOM 2444 C CD2 . PHE B 2 257 ? -19.882 -48.746 8.874 1.00 46.27 ? 245 PHE B CD2 1 ATOM 2445 C CE1 . PHE B 2 257 ? -20.661 -48.078 11.436 1.00 43.53 ? 245 PHE B CE1 1 ATOM 2446 C CE2 . PHE B 2 257 ? -18.975 -48.848 9.918 1.00 48.29 ? 245 PHE B CE2 1 ATOM 2447 C CZ . PHE B 2 257 ? -19.367 -48.512 11.203 1.00 46.98 ? 245 PHE B CZ 1 ATOM 2448 N N . GLY B 2 258 ? -24.739 -46.090 6.579 1.00 47.22 ? 246 GLY B N 1 ATOM 2449 C CA . GLY B 2 258 ? -25.284 -45.704 5.294 1.00 47.47 ? 246 GLY B CA 1 ATOM 2450 C C . GLY B 2 258 ? -25.723 -46.931 4.530 1.00 47.59 ? 246 GLY B C 1 ATOM 2451 O O . GLY B 2 258 ? -25.332 -47.072 3.346 1.00 46.77 ? 246 GLY B O 1 ATOM 2452 O OXT . GLY B 2 258 ? -26.462 -47.746 5.128 1.00 47.06 ? 246 GLY B OXT 1 ATOM 2453 N N . LYS C 3 1 ? -35.757 -9.226 -8.648 1.00 97.84 ? 51 LYS C N 1 ATOM 2454 C CA . LYS C 3 1 ? -34.929 -8.981 -9.875 1.00 99.21 ? 51 LYS C CA 1 ATOM 2455 C C . LYS C 3 1 ? -35.267 -10.018 -10.951 1.00 97.95 ? 51 LYS C C 1 ATOM 2456 O O . LYS C 3 1 ? -35.630 -9.691 -12.086 1.00 98.00 ? 51 LYS C O 1 ATOM 2457 C CB . LYS C 3 1 ? -33.428 -9.068 -9.517 1.00 100.50 ? 51 LYS C CB 1 ATOM 2458 C CG . LYS C 3 1 ? -32.456 -9.037 -10.710 1.00 101.33 ? 51 LYS C CG 1 ATOM 2459 C CD . LYS C 3 1 ? -31.616 -7.761 -10.749 1.00 101.93 ? 51 LYS C CD 1 ATOM 2460 C CE . LYS C 3 1 ? -30.606 -7.806 -11.888 1.00 101.93 ? 51 LYS C CE 1 ATOM 2461 N NZ . LYS C 3 1 ? -29.744 -6.592 -11.937 1.00 101.93 ? 51 LYS C NZ 1 ATOM 2462 N N . SER C 3 2 ? -35.145 -11.274 -10.542 1.00 96.58 ? 52 SER C N 1 ATOM 2463 C CA . SER C 3 2 ? -35.371 -12.465 -11.355 1.00 94.47 ? 52 SER C CA 1 ATOM 2464 C C . SER C 3 2 ? -34.665 -13.437 -10.424 1.00 92.17 ? 52 SER C C 1 ATOM 2465 O O . SER C 3 2 ? -33.676 -14.070 -10.825 1.00 91.58 ? 52 SER C O 1 ATOM 2466 C CB . SER C 3 2 ? -34.586 -12.387 -12.683 1.00 95.00 ? 52 SER C CB 1 ATOM 2467 O OG . SER C 3 2 ? -33.174 -12.465 -12.475 1.00 93.91 ? 52 SER C OG 1 ATOM 2468 N N . SER C 3 3 ? -35.147 -13.582 -9.186 1.00 88.69 ? 53 SER C N 1 ATOM 2469 C CA . SER C 3 3 ? -34.354 -14.430 -8.316 1.00 84.16 ? 53 SER C CA 1 ATOM 2470 C C . SER C 3 3 ? -34.626 -14.880 -6.876 1.00 80.70 ? 53 SER C C 1 ATOM 2471 O O . SER C 3 3 ? -35.684 -15.397 -6.470 1.00 77.02 ? 53 SER C O 1 ATOM 2472 C CB . SER C 3 3 ? -32.942 -13.821 -8.301 1.00 85.32 ? 53 SER C CB 1 ATOM 2473 O OG . SER C 3 3 ? -32.978 -12.500 -7.765 1.00 86.99 ? 53 SER C OG 1 ATOM 2474 N N . ASP C 3 4 ? -33.501 -14.690 -6.184 1.00 78.24 ? 54 ASP C N 1 ATOM 2475 C CA . ASP C 3 4 ? -33.114 -14.985 -4.818 1.00 73.74 ? 54 ASP C CA 1 ATOM 2476 C C . ASP C 3 4 ? -33.310 -16.376 -4.262 1.00 69.27 ? 54 ASP C C 1 ATOM 2477 O O . ASP C 3 4 ? -34.396 -16.821 -3.902 1.00 67.02 ? 54 ASP C O 1 ATOM 2478 C CB . ASP C 3 4 ? -33.526 -13.884 -3.801 1.00 76.50 ? 54 ASP C CB 1 ATOM 2479 C CG . ASP C 3 4 ? -34.934 -13.359 -3.987 1.00 79.40 ? 54 ASP C CG 1 ATOM 2480 O OD1 . ASP C 3 4 ? -35.823 -13.766 -3.209 1.00 81.80 ? 54 ASP C OD1 1 ATOM 2481 O OD2 . ASP C 3 4 ? -35.148 -12.519 -4.889 1.00 81.00 ? 54 ASP C OD2 1 ATOM 2482 N N . LYS C 3 5 ? -32.160 -17.047 -4.288 1.00 65.48 ? 55 LYS C N 1 ATOM 2483 C CA . LYS C 3 5 ? -31.896 -18.381 -3.785 1.00 62.22 ? 55 LYS C CA 1 ATOM 2484 C C . LYS C 3 5 ? -30.736 -17.981 -2.877 1.00 58.70 ? 55 LYS C C 1 ATOM 2485 O O . LYS C 3 5 ? -30.048 -16.995 -3.139 1.00 57.95 ? 55 LYS C O 1 ATOM 2486 C CB . LYS C 3 5 ? -31.363 -19.316 -4.883 1.00 63.69 ? 55 LYS C CB 1 ATOM 2487 C CG . LYS C 3 5 ? -32.412 -19.987 -5.775 1.00 65.46 ? 55 LYS C CG 1 ATOM 2488 C CD . LYS C 3 5 ? -31.758 -20.855 -6.879 1.00 67.06 ? 55 LYS C CD 1 ATOM 2489 C CE . LYS C 3 5 ? -32.814 -21.579 -7.735 1.00 67.71 ? 55 LYS C CE 1 ATOM 2490 N NZ . LYS C 3 5 ? -32.278 -22.239 -8.971 1.00 66.35 ? 55 LYS C NZ 1 ATOM 2491 N N . PRO C 3 6 ? -30.494 -18.732 -1.806 1.00 55.90 ? 56 PRO C N 1 ATOM 2492 C CA . PRO C 3 6 ? -29.396 -18.374 -0.910 1.00 53.84 ? 56 PRO C CA 1 ATOM 2493 C C . PRO C 3 6 ? -28.014 -18.457 -1.527 1.00 51.62 ? 56 PRO C C 1 ATOM 2494 O O . PRO C 3 6 ? -27.810 -19.146 -2.518 1.00 50.97 ? 56 PRO C O 1 ATOM 2495 C CB . PRO C 3 6 ? -29.569 -19.355 0.240 1.00 54.60 ? 56 PRO C CB 1 ATOM 2496 C CG . PRO C 3 6 ? -30.115 -20.573 -0.447 1.00 55.86 ? 56 PRO C CG 1 ATOM 2497 C CD . PRO C 3 6 ? -31.154 -19.974 -1.364 1.00 55.66 ? 56 PRO C CD 1 ATOM 2498 N N . ASN C 3 7 ? -27.072 -17.737 -0.929 1.00 51.23 ? 57 ASN C N 1 ATOM 2499 C CA . ASN C 3 7 ? -25.682 -17.744 -1.377 1.00 51.53 ? 57 ASN C CA 1 ATOM 2500 C C . ASN C 3 7 ? -24.982 -18.816 -0.546 1.00 50.67 ? 57 ASN C C 1 ATOM 2501 O O . ASN C 3 7 ? -24.727 -18.621 0.648 1.00 49.20 ? 57 ASN C O 1 ATOM 2502 C CB . ASN C 3 7 ? -24.997 -16.396 -1.105 1.00 52.89 ? 57 ASN C CB 1 ATOM 2503 C CG . ASN C 3 7 ? -25.682 -15.229 -1.790 1.00 53.46 ? 57 ASN C CG 1 ATOM 2504 O OD1 . ASN C 3 7 ? -26.876 -15.283 -2.094 1.00 54.69 ? 57 ASN C OD1 1 ATOM 2505 N ND2 . ASN C 3 7 ? -24.932 -14.154 -2.015 1.00 53.27 ? 57 ASN C ND2 1 ATOM 2506 N N . PRO C 3 8 ? -24.684 -19.973 -1.153 1.00 50.85 ? 58 PRO C N 1 ATOM 2507 C CA . PRO C 3 8 ? -24.008 -21.023 -0.388 1.00 53.22 ? 58 PRO C CA 1 ATOM 2508 C C . PRO C 3 8 ? -22.620 -20.524 -0.002 1.00 55.08 ? 58 PRO C C 1 ATOM 2509 O O . PRO C 3 8 ? -22.016 -19.734 -0.732 1.00 54.48 ? 58 PRO C O 1 ATOM 2510 C CB . PRO C 3 8 ? -24.000 -22.195 -1.355 1.00 51.10 ? 58 PRO C CB 1 ATOM 2511 C CG . PRO C 3 8 ? -23.948 -21.530 -2.682 1.00 50.30 ? 58 PRO C CG 1 ATOM 2512 C CD . PRO C 3 8 ? -24.908 -20.390 -2.544 1.00 49.57 ? 58 PRO C CD 1 ATOM 2513 N N . ARG C 3 9 ? -22.105 -20.998 1.126 1.00 57.22 ? 59 ARG C N 1 ATOM 2514 C CA . ARG C 3 9 ? -20.833 -20.504 1.617 1.00 60.51 ? 59 ARG C CA 1 ATOM 2515 C C . ARG C 3 9 ? -19.492 -21.070 1.178 1.00 64.67 ? 59 ARG C C 1 ATOM 2516 O O . ARG C 3 9 ? -18.534 -20.315 1.171 1.00 66.07 ? 59 ARG C O 1 ATOM 2517 C CB . ARG C 3 9 ? -20.891 -20.445 3.138 1.00 59.12 ? 59 ARG C CB 1 ATOM 2518 C CG . ARG C 3 9 ? -22.156 -19.764 3.628 1.00 56.11 ? 59 ARG C CG 1 ATOM 2519 C CD . ARG C 3 9 ? -21.861 -18.621 4.578 1.00 55.69 ? 59 ARG C CD 1 ATOM 2520 N NE . ARG C 3 9 ? -22.464 -17.377 4.120 1.00 52.35 ? 59 ARG C NE 1 ATOM 2521 C CZ . ARG C 3 9 ? -22.774 -16.361 4.912 1.00 49.90 ? 59 ARG C CZ 1 ATOM 2522 N NH1 . ARG C 3 9 ? -22.546 -16.429 6.215 1.00 45.62 ? 59 ARG C NH1 1 ATOM 2523 N NH2 . ARG C 3 9 ? -23.317 -15.274 4.391 1.00 49.39 ? 59 ARG C NH2 1 ATOM 2524 N N . GLY C 3 10 ? -19.375 -22.351 0.831 1.00 69.63 ? 60 GLY C N 1 ATOM 2525 C CA . GLY C 3 10 ? -18.063 -22.826 0.390 1.00 76.81 ? 60 GLY C CA 1 ATOM 2526 C C . GLY C 3 10 ? -17.573 -21.742 -0.562 1.00 81.58 ? 60 GLY C C 1 ATOM 2527 O O . GLY C 3 10 ? -18.197 -21.557 -1.608 1.00 82.45 ? 60 GLY C O 1 ATOM 2528 N N . TYR C 3 11 ? -16.480 -21.034 -0.252 1.00 84.33 ? 61 TYR C N 1 ATOM 2529 C CA . TYR C 3 11 ? -16.114 -19.922 -1.127 1.00 88.06 ? 61 TYR C CA 1 ATOM 2530 C C . TYR C 3 11 ? -16.124 -20.118 -2.637 1.00 90.03 ? 61 TYR C C 1 ATOM 2531 O O . TYR C 3 11 ? -15.983 -21.237 -3.138 1.00 89.60 ? 61 TYR C O 1 ATOM 2532 C CB . TYR C 3 11 ? -14.845 -19.157 -0.645 1.00 89.39 ? 61 TYR C CB 1 ATOM 2533 C CG . TYR C 3 11 ? -13.489 -19.819 -0.483 1.00 91.80 ? 61 TYR C CG 1 ATOM 2534 C CD1 . TYR C 3 11 ? -12.732 -20.234 -1.587 1.00 92.06 ? 61 TYR C CD1 1 ATOM 2535 C CD2 . TYR C 3 11 ? -12.885 -19.871 0.781 1.00 93.33 ? 61 TYR C CD2 1 ATOM 2536 C CE1 . TYR C 3 11 ? -11.398 -20.674 -1.426 1.00 92.89 ? 61 TYR C CE1 1 ATOM 2537 C CE2 . TYR C 3 11 ? -11.565 -20.305 0.950 1.00 94.03 ? 61 TYR C CE2 1 ATOM 2538 C CZ . TYR C 3 11 ? -10.827 -20.702 -0.153 1.00 93.46 ? 61 TYR C CZ 1 ATOM 2539 O OH . TYR C 3 11 ? -9.524 -21.107 0.026 1.00 92.14 ? 61 TYR C OH 1 ATOM 2540 N N . PRO C 3 12 ? -16.346 -19.011 -3.377 1.00 92.71 ? 62 PRO C N 1 ATOM 2541 C CA . PRO C 3 12 ? -16.431 -18.848 -4.832 1.00 95.85 ? 62 PRO C CA 1 ATOM 2542 C C . PRO C 3 12 ? -15.376 -19.521 -5.706 1.00 99.01 ? 62 PRO C C 1 ATOM 2543 O O . PRO C 3 12 ? -15.210 -19.140 -6.871 1.00 99.04 ? 62 PRO C O 1 ATOM 2544 C CB . PRO C 3 12 ? -16.446 -17.327 -5.007 1.00 95.04 ? 62 PRO C CB 1 ATOM 2545 C CG . PRO C 3 12 ? -15.640 -16.857 -3.845 1.00 94.12 ? 62 PRO C CG 1 ATOM 2546 C CD . PRO C 3 12 ? -16.239 -17.681 -2.748 1.00 93.11 ? 62 PRO C CD 1 ATOM 2547 N N . GLY C 3 13 ? -14.672 -20.510 -5.150 1.00 101.56 ? 63 GLY C N 1 ATOM 2548 C CA . GLY C 3 13 ? -13.663 -21.236 -5.910 1.00 101.93 ? 63 GLY C CA 1 ATOM 2549 C C . GLY C 3 13 ? -14.255 -21.531 -7.271 1.00 101.93 ? 63 GLY C C 1 ATOM 2550 O O . GLY C 3 13 ? -13.561 -21.546 -8.295 1.00 101.93 ? 63 GLY C O 1 ATOM 2551 N N . LYS C 3 14 ? -15.561 -21.784 -7.259 1.00 101.93 ? 64 LYS C N 1 ATOM 2552 C CA . LYS C 3 14 ? -16.311 -22.018 -8.476 1.00 101.93 ? 64 LYS C CA 1 ATOM 2553 C C . LYS C 3 14 ? -16.699 -20.616 -8.918 1.00 101.93 ? 64 LYS C C 1 ATOM 2554 O O . LYS C 3 14 ? -17.765 -20.099 -8.564 1.00 101.93 ? 64 LYS C O 1 ATOM 2555 C CB . LYS C 3 14 ? -17.558 -22.864 -8.206 1.00 101.93 ? 64 LYS C CB 1 ATOM 2556 C CG . LYS C 3 14 ? -17.490 -24.255 -8.832 1.00 101.93 ? 64 LYS C CG 1 ATOM 2557 C CD . LYS C 3 14 ? -17.462 -24.195 -10.363 1.00 101.93 ? 64 LYS C CD 1 ATOM 2558 C CE . LYS C 3 14 ? -17.169 -25.571 -10.966 1.00 101.93 ? 64 LYS C CE 1 ATOM 2559 N NZ . LYS C 3 14 ? -17.389 -25.617 -12.441 1.00 101.93 ? 64 LYS C NZ 1 ATOM 2560 N N . PHE C 3 15 ? -15.770 -20.006 -9.648 1.00 101.93 ? 65 PHE C N 1 ATOM 2561 C CA . PHE C 3 15 ? -15.871 -18.664 -10.206 1.00 101.93 ? 65 PHE C CA 1 ATOM 2562 C C . PHE C 3 15 ? -15.055 -17.622 -9.460 1.00 100.90 ? 65 PHE C C 1 ATOM 2563 O O . PHE C 3 15 ? -15.532 -16.513 -9.219 1.00 101.26 ? 65 PHE C O 1 ATOM 2564 C CB . PHE C 3 15 ? -17.322 -18.186 -10.307 1.00 101.93 ? 65 PHE C CB 1 ATOM 2565 C CG . PHE C 3 15 ? -17.610 -17.419 -11.567 1.00 101.93 ? 65 PHE C CG 1 ATOM 2566 C CD1 . PHE C 3 15 ? -18.848 -16.821 -11.773 1.00 101.93 ? 65 PHE C CD1 1 ATOM 2567 C CD2 . PHE C 3 15 ? -16.645 -17.319 -12.565 1.00 101.93 ? 65 PHE C CD2 1 ATOM 2568 C CE1 . PHE C 3 15 ? -19.125 -16.137 -12.964 1.00 101.93 ? 65 PHE C CE1 1 ATOM 2569 C CE2 . PHE C 3 15 ? -16.911 -16.642 -13.754 1.00 101.93 ? 65 PHE C CE2 1 ATOM 2570 C CZ . PHE C 3 15 ? -18.153 -16.048 -13.953 1.00 101.93 ? 65 PHE C CZ 1 ATOM 2571 N N . CYS C 3 16 ? -13.827 -17.981 -9.090 1.00 99.83 ? 66 CYS C N 1 ATOM 2572 C CA . CYS C 3 16 ? -12.931 -17.042 -8.419 1.00 98.68 ? 66 CYS C CA 1 ATOM 2573 C C . CYS C 3 16 ? -12.440 -16.107 -9.525 1.00 97.23 ? 66 CYS C C 1 ATOM 2574 O O . CYS C 3 16 ? -11.438 -15.402 -9.389 1.00 95.89 ? 66 CYS C O 1 ATOM 2575 C CB . CYS C 3 16 ? -11.750 -17.772 -7.764 1.00 99.54 ? 66 CYS C CB 1 ATOM 2576 S SG . CYS C 3 16 ? -12.117 -18.553 -6.159 1.00 99.78 ? 66 CYS C SG 1 ATOM 2577 N N . ALA C 3 17 ? -13.167 -16.151 -10.638 1.00 95.83 ? 67 ALA C N 1 ATOM 2578 C CA . ALA C 3 17 ? -12.920 -15.317 -11.804 1.00 94.32 ? 67 ALA C CA 1 ATOM 2579 C C . ALA C 3 17 ? -14.134 -14.407 -11.765 1.00 93.78 ? 67 ALA C C 1 ATOM 2580 O O . ALA C 3 17 ? -15.074 -14.577 -12.545 1.00 92.99 ? 67 ALA C O 1 ATOM 2581 C CB . ALA C 3 17 ? -12.942 -16.160 -13.069 1.00 93.43 ? 67 ALA C CB 1 ATOM 2582 N N . ASN C 3 18 ? -14.126 -13.447 -10.846 1.00 94.25 ? 68 ASN C N 1 ATOM 2583 C CA . ASN C 3 18 ? -15.282 -12.583 -10.714 1.00 94.43 ? 68 ASN C CA 1 ATOM 2584 C C . ASN C 3 18 ? -15.219 -11.101 -11.024 1.00 95.36 ? 68 ASN C C 1 ATOM 2585 O O . ASN C 3 18 ? -14.265 -10.601 -11.630 1.00 95.43 ? 68 ASN C O 1 ATOM 2586 C CB . ASN C 3 18 ? -15.918 -12.783 -9.340 1.00 92.31 ? 68 ASN C CB 1 ATOM 2587 C CG . ASN C 3 18 ? -16.917 -13.919 -9.338 1.00 90.25 ? 68 ASN C CG 1 ATOM 2588 O OD1 . ASN C 3 18 ? -17.600 -14.145 -10.334 1.00 88.21 ? 68 ASN C OD1 1 ATOM 2589 N ND2 . ASN C 3 18 ? -17.019 -14.628 -8.222 1.00 90.17 ? 68 ASN C ND2 1 ATOM 2590 N N . ASP C 3 19 ? -16.272 -10.414 -10.577 1.00 96.58 ? 69 ASP C N 1 ATOM 2591 C CA . ASP C 3 19 ? -16.482 -8.996 -10.836 1.00 96.62 ? 69 ASP C CA 1 ATOM 2592 C C . ASP C 3 19 ? -15.977 -7.855 -9.969 1.00 96.69 ? 69 ASP C C 1 ATOM 2593 O O . ASP C 3 19 ? -15.680 -7.988 -8.772 1.00 95.98 ? 69 ASP C O 1 ATOM 2594 C CB . ASP C 3 19 ? -17.974 -8.741 -11.077 1.00 94.02 ? 69 ASP C CB 1 ATOM 2595 C CG . ASP C 3 19 ? -18.387 -9.025 -12.504 1.00 92.31 ? 69 ASP C CG 1 ATOM 2596 O OD1 . ASP C 3 19 ? -17.566 -8.795 -13.419 1.00 89.49 ? 69 ASP C OD1 1 ATOM 2597 O OD2 . ASP C 3 19 ? -19.538 -9.459 -12.712 1.00 92.34 ? 69 ASP C OD2 1 ATOM 2598 N N . SER C 3 20 ? -15.936 -6.715 -10.659 1.00 97.71 ? 70 SER C N 1 ATOM 2599 C CA . SER C 3 20 ? -15.532 -5.408 -10.166 1.00 97.32 ? 70 SER C CA 1 ATOM 2600 C C . SER C 3 20 ? -15.773 -4.479 -11.363 1.00 96.79 ? 70 SER C C 1 ATOM 2601 O O . SER C 3 20 ? -16.652 -4.732 -12.188 1.00 96.42 ? 70 SER C O 1 ATOM 2602 C CB . SER C 3 20 ? -14.051 -5.400 -9.793 1.00 96.42 ? 70 SER C CB 1 ATOM 2603 O OG . SER C 3 20 ? -13.786 -4.424 -8.799 1.00 96.22 ? 70 SER C OG 1 ATOM 2604 N N . ASP C 3 21 ? -14.983 -3.419 -11.467 1.00 96.52 ? 71 ASP C N 1 ATOM 2605 C CA . ASP C 3 21 ? -15.115 -2.466 -12.563 1.00 96.72 ? 71 ASP C CA 1 ATOM 2606 C C . ASP C 3 21 ? -13.869 -2.515 -13.433 1.00 97.48 ? 71 ASP C C 1 ATOM 2607 O O . ASP C 3 21 ? -12.810 -2.949 -12.972 1.00 98.10 ? 71 ASP C O 1 ATOM 2608 C CB . ASP C 3 21 ? -15.295 -1.052 -11.992 1.00 96.24 ? 71 ASP C CB 1 ATOM 2609 C CG . ASP C 3 21 ? -14.987 0.046 -13.005 1.00 95.83 ? 71 ASP C CG 1 ATOM 2610 O OD1 . ASP C 3 21 ? -15.648 0.090 -14.067 1.00 95.66 ? 71 ASP C OD1 1 ATOM 2611 O OD2 . ASP C 3 21 ? -14.085 0.871 -12.730 1.00 94.38 ? 71 ASP C OD2 1 ATOM 2612 N N . THR C 3 22 ? -13.992 -2.087 -14.689 1.00 97.54 ? 72 THR C N 1 ATOM 2613 C CA . THR C 3 22 ? -12.837 -2.059 -15.584 1.00 97.08 ? 72 THR C CA 1 ATOM 2614 C C . THR C 3 22 ? -11.871 -0.973 -15.073 1.00 97.54 ? 72 THR C C 1 ATOM 2615 O O . THR C 3 22 ? -11.524 -0.020 -15.781 1.00 97.05 ? 72 THR C O 1 ATOM 2616 C CB . THR C 3 22 ? -13.260 -1.798 -17.061 1.00 96.22 ? 72 THR C CB 1 ATOM 2617 O OG1 . THR C 3 22 ? -14.295 -0.809 -17.109 1.00 96.86 ? 72 THR C OG1 1 ATOM 2618 C CG2 . THR C 3 22 ? -13.763 -3.083 -17.702 1.00 93.48 ? 72 THR C CG2 1 ATOM 2619 N N . LEU C 3 23 ? -11.479 -1.153 -13.809 1.00 97.49 ? 73 LEU C N 1 ATOM 2620 C CA . LEU C 3 23 ? -10.564 -0.302 -13.048 1.00 97.86 ? 73 LEU C CA 1 ATOM 2621 C C . LEU C 3 23 ? -10.709 1.216 -13.102 1.00 99.97 ? 73 LEU C C 1 ATOM 2622 O O . LEU C 3 23 ? -10.527 1.826 -14.157 1.00 101.93 ? 73 LEU C O 1 ATOM 2623 C CB . LEU C 3 23 ? -9.113 -0.672 -13.382 1.00 95.12 ? 73 LEU C CB 1 ATOM 2624 C CG . LEU C 3 23 ? -7.994 0.256 -12.882 1.00 93.21 ? 73 LEU C CG 1 ATOM 2625 C CD1 . LEU C 3 23 ? -8.260 0.754 -11.467 1.00 90.79 ? 73 LEU C CD1 1 ATOM 2626 C CD2 . LEU C 3 23 ? -6.683 -0.501 -12.936 1.00 92.21 ? 73 LEU C CD2 1 ATOM 2627 N N . GLU C 3 24 ? -11.006 1.803 -11.937 1.00 100.62 ? 74 GLU C N 1 ATOM 2628 C CA . GLU C 3 24 ? -11.147 3.255 -11.744 1.00 101.04 ? 74 GLU C CA 1 ATOM 2629 C C . GLU C 3 24 ? -11.966 3.658 -10.515 1.00 101.93 ? 74 GLU C C 1 ATOM 2630 O O . GLU C 3 24 ? -13.141 4.003 -10.626 1.00 101.93 ? 74 GLU C O 1 ATOM 2631 C CB . GLU C 3 24 ? -11.733 3.929 -12.991 1.00 99.04 ? 74 GLU C CB 1 ATOM 2632 C CG . GLU C 3 24 ? -10.697 4.744 -13.760 1.00 95.89 ? 74 GLU C CG 1 ATOM 2633 C CD . GLU C 3 24 ? -10.981 4.800 -15.247 1.00 94.38 ? 74 GLU C CD 1 ATOM 2634 O OE1 . GLU C 3 24 ? -12.089 5.240 -15.624 1.00 92.59 ? 74 GLU C OE1 1 ATOM 2635 O OE2 . GLU C 3 24 ? -10.094 4.401 -16.036 1.00 93.05 ? 74 GLU C OE2 1 ATOM 2636 N N . LEU C 3 25 ? -11.324 3.617 -9.348 1.00 101.93 ? 75 LEU C N 1 ATOM 2637 C CA . LEU C 3 25 ? -11.960 3.979 -8.072 1.00 101.93 ? 75 LEU C CA 1 ATOM 2638 C C . LEU C 3 25 ? -10.892 4.096 -6.978 1.00 101.93 ? 75 LEU C C 1 ATOM 2639 O O . LEU C 3 25 ? -9.812 3.505 -7.070 1.00 101.93 ? 75 LEU C O 1 ATOM 2640 C CB . LEU C 3 25 ? -12.955 2.919 -7.597 1.00 101.93 ? 75 LEU C CB 1 ATOM 2641 C CG . LEU C 3 25 ? -13.847 2.022 -8.461 1.00 101.93 ? 75 LEU C CG 1 ATOM 2642 C CD1 . LEU C 3 25 ? -13.849 0.620 -7.851 1.00 101.93 ? 75 LEU C CD1 1 ATOM 2643 C CD2 . LEU C 3 25 ? -15.264 2.585 -8.534 1.00 101.93 ? 75 LEU C CD2 1 ATOM 2644 N N . PRO C 3 26 ? -11.204 4.873 -5.914 1.00 101.93 ? 76 PRO C N 1 ATOM 2645 C CA . PRO C 3 26 ? -10.312 5.059 -4.761 1.00 101.93 ? 76 PRO C CA 1 ATOM 2646 C C . PRO C 3 26 ? -10.830 4.244 -3.587 1.00 101.93 ? 76 PRO C C 1 ATOM 2647 O O . PRO C 3 26 ? -9.995 3.739 -2.809 1.00 101.93 ? 76 PRO C O 1 ATOM 2648 C CB . PRO C 3 26 ? -10.430 6.562 -4.515 1.00 101.93 ? 76 PRO C CB 1 ATOM 2649 C CG . PRO C 3 26 ? -11.878 6.784 -4.747 1.00 101.93 ? 76 PRO C CG 1 ATOM 2650 C CD . PRO C 3 26 ? -12.213 5.929 -5.973 1.00 101.93 ? 76 PRO C CD 1 ATOM 2651 O OXT . PRO C 3 26 ? -12.069 4.122 -3.453 1.00 101.93 ? 76 PRO C OXT 1 HETATM 2652 C C1 . NAG D 4 . ? -23.572 -37.138 -9.413 1.00 82.55 ? 301 NAG B C1 1 HETATM 2653 C C2 . NAG D 4 . ? -25.021 -37.008 -9.910 1.00 84.07 ? 301 NAG B C2 1 HETATM 2654 C C3 . NAG D 4 . ? -25.739 -38.409 -10.160 1.00 86.83 ? 301 NAG B C3 1 HETATM 2655 C C4 . NAG D 4 . ? -24.780 -39.560 -10.662 1.00 87.76 ? 301 NAG B C4 1 HETATM 2656 C C5 . NAG D 4 . ? -23.351 -39.366 -10.014 1.00 87.34 ? 301 NAG B C5 1 HETATM 2657 C C6 . NAG D 4 . ? -22.193 -40.316 -10.307 1.00 87.74 ? 301 NAG B C6 1 HETATM 2658 C C7 . NAG D 4 . ? -26.637 -35.208 -9.216 1.00 79.88 ? 301 NAG B C7 1 HETATM 2659 C C8 . NAG D 4 . ? -27.895 -35.193 -8.343 1.00 80.01 ? 301 NAG B C8 1 HETATM 2660 N N2 . NAG D 4 . ? -25.668 -36.118 -8.904 1.00 81.75 ? 301 NAG B N2 1 HETATM 2661 O O3 . NAG D 4 . ? -26.736 -38.224 -11.168 1.00 89.05 ? 301 NAG B O3 1 HETATM 2662 O O4 . NAG D 4 . ? -25.350 -40.832 -10.334 1.00 86.59 ? 301 NAG B O4 1 HETATM 2663 O O5 . NAG D 4 . ? -22.917 -38.026 -10.366 1.00 85.81 ? 301 NAG B O5 1 HETATM 2664 O O6 . NAG D 4 . ? -21.868 -40.166 -11.705 1.00 87.08 ? 301 NAG B O6 1 HETATM 2665 O O7 . NAG D 4 . ? -26.525 -34.419 -10.142 1.00 76.15 ? 301 NAG B O7 1 HETATM 2666 C C1 . NAG E 4 . ? -30.122 -1.429 10.948 1.00 92.82 ? 302 NAG B C1 1 HETATM 2667 C C2 . NAG E 4 . ? -31.571 -1.007 11.363 1.00 95.53 ? 302 NAG B C2 1 HETATM 2668 C C3 . NAG E 4 . ? -32.597 -1.785 10.372 1.00 96.72 ? 302 NAG B C3 1 HETATM 2669 C C4 . NAG E 4 . ? -32.274 -1.605 8.834 1.00 96.46 ? 302 NAG B C4 1 HETATM 2670 C C5 . NAG E 4 . ? -30.740 -1.952 8.813 1.00 93.43 ? 302 NAG B C5 1 HETATM 2671 C C6 . NAG E 4 . ? -29.858 -2.002 7.567 1.00 91.41 ? 302 NAG B C6 1 HETATM 2672 C C7 . NAG E 4 . ? -32.350 -0.379 13.634 1.00 98.73 ? 302 NAG B C7 1 HETATM 2673 C C8 . NAG E 4 . ? -32.130 1.100 13.333 1.00 97.39 ? 302 NAG B C8 1 HETATM 2674 N N2 . NAG E 4 . ? -31.834 -1.326 12.801 1.00 97.09 ? 302 NAG B N2 1 HETATM 2675 O O3 . NAG E 4 . ? -34.027 -1.399 10.521 1.00 97.50 ? 302 NAG B O3 1 HETATM 2676 O O4 . NAG E 4 . ? -33.033 -2.583 8.013 1.00 99.72 ? 302 NAG B O4 1 HETATM 2677 O O5 . NAG E 4 . ? -30.100 -0.986 9.609 1.00 92.80 ? 302 NAG B O5 1 HETATM 2678 O O6 . NAG E 4 . ? -29.879 -0.676 7.002 1.00 87.15 ? 302 NAG B O6 1 HETATM 2679 O O7 . NAG E 4 . ? -32.972 -0.716 14.625 1.00 101.27 ? 302 NAG B O7 1 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 PHE 1 1 1 PHE PHE A P n A 1 2 HIS 2 1 1 HIS HIS A O n A 1 3 THR 3 1 1 THR THR A N n A 1 4 PHE 4 1 1 PHE PHE A M n A 1 5 PHE 5 1 1 PHE PHE A L n A 1 6 ASN 6 1 1 ASN ASN A K n A 1 7 GLU 7 1 1 GLU GLU A J n A 1 8 LYS 8 1 1 LYS LYS A I n A 1 9 THR 9 1 1 THR THR A H n A 1 10 PHE 10 1 1 PHE PHE A G n A 1 11 GLY 11 1 1 GLY GLY A F n A 1 12 LEU 12 1 1 LEU LEU A E n A 1 13 GLY 13 1 1 GLY GLY A D n A 1 14 GLU 14 1 1 GLU GLU A C n A 1 15 ALA 15 1 1 ALA ALA A B n A 1 16 ASP 16 1 1 ASP ASP A A n A 1 17 CYS 17 1 1 CYS CYS A . n A 1 18 GLY 18 2 2 GLY GLY A . n A 1 19 LEU 19 3 3 LEU LEU A . n A 1 20 ARG 20 4 4 ARG ARG A . n A 1 21 PRO 21 5 5 PRO PRO A . n A 1 22 LEU 22 6 6 LEU LEU A . n A 1 23 PHE 23 7 7 PHE PHE A . n A 1 24 GLU 24 8 8 GLU GLU A . n A 1 25 LYS 25 9 9 LYS LYS A . n A 1 26 LYS 26 10 10 LYS LYS A . n A 1 27 SER 27 11 11 SER SER A . n A 1 28 LEU 28 12 12 LEU LEU A . n A 1 29 LYS 29 13 13 LYS LYS A . n A 1 30 ASP 30 14 14 ASP ASP A . n A 1 31 THR 31 14 14 THR THR A A n A 1 32 THR 32 14 14 THR THR A B n A 1 33 GLU 33 14 14 GLU GLU A C n A 1 34 LYS 34 14 14 LYS LYS A D n A 1 35 GLU 35 14 14 GLU GLU A E n A 1 36 LEU 36 14 14 LEU LEU A F n A 1 37 LEU 37 14 14 LEU LEU A G n A 1 38 ASP 38 14 14 ASP ASP A H n A 1 39 SER 39 14 14 SER SER A I n A 1 40 TYR 40 14 14 TYR TYR A J n A 1 41 ILE 41 14 14 ILE ILE A K n A 1 42 ASP 42 14 14 ASP ASP A L n A 1 43 GLY 43 14 14 GLY GLY A M n A 1 44 ARG 44 15 ? ? ? A . n B 2 1 ILE 1 16 16 ILE ILE B . n B 2 2 VAL 2 17 17 VAL VAL B . n B 2 3 GLU 3 18 18 GLU GLU B . n B 2 4 GLY 4 19 19 GLY GLY B . n B 2 5 TRP 5 20 20 TRP TRP B . n B 2 6 ASP 6 21 21 ASP ASP B . n B 2 7 ALA 7 22 22 ALA ALA B . n B 2 8 GLU 8 23 23 GLU GLU B . n B 2 9 LYS 9 24 24 LYS LYS B . n B 2 10 GLY 10 25 25 GLY GLY B . n B 2 11 ILE 11 26 26 ILE ILE B . n B 2 12 ALA 12 27 27 ALA ALA B . n B 2 13 PRO 13 28 28 PRO PRO B . n B 2 14 TRP 14 29 29 TRP TRP B . n B 2 15 GLN 15 30 30 GLN GLN B . n B 2 16 VAL 16 31 31 VAL VAL B . n B 2 17 MET 17 32 32 MET MET B . n B 2 18 LEU 18 33 33 LEU LEU B . n B 2 19 PHE 19 34 34 PHE PHE B . n B 2 20 ARG 20 35 35 ARG ARG B . n B 2 21 LYS 21 36 36 LYS LYS B . n B 2 22 SER 22 36 36 SER SER B A n B 2 23 PRO 23 37 37 PRO PRO B . n B 2 24 GLN 24 38 38 GLN GLN B . n B 2 25 GLU 25 39 39 GLU GLU B . n B 2 26 LEU 26 40 40 LEU LEU B . n B 2 27 LEU 27 41 41 LEU LEU B . n B 2 28 CYS 28 42 42 CYS CYS B . n B 2 29 GLY 29 43 43 GLY GLY B . n B 2 30 ALA 30 44 44 ALA ALA B . n B 2 31 SER 31 45 45 SER SER B . n B 2 32 LEU 32 46 46 LEU LEU B . n B 2 33 ILE 33 47 47 ILE ILE B . n B 2 34 SER 34 48 48 SER SER B . n B 2 35 ASP 35 49 49 ASP ASP B . n B 2 36 ARG 36 50 50 ARG ARG B . n B 2 37 TRP 37 51 51 TRP TRP B . n B 2 38 VAL 38 52 52 VAL VAL B . n B 2 39 LEU 39 53 53 LEU LEU B . n B 2 40 THR 40 54 54 THR THR B . n B 2 41 ALA 41 55 55 ALA ALA B . n B 2 42 ALA 42 56 56 ALA ALA B . n B 2 43 HIS 43 57 57 HIS HIS B . n B 2 44 CYS 44 58 58 CYS CYS B . n B 2 45 ILE 45 59 59 ILE ILE B . n B 2 46 LEU 46 60 60 LEU LEU B . n B 2 47 TYR 47 60 60 TYR TYR B A n B 2 48 PRO 48 60 60 PRO PRO B B n B 2 49 PRO 49 60 60 PRO PRO B C n B 2 50 TRP 50 60 60 TRP TRP B D n B 2 51 ASP 51 60 60 ASP ASP B E n B 2 52 LYS 52 60 60 LYS LYS B F n B 2 53 ASN 53 60 60 ASN ASN B G n B 2 54 PHE 54 60 60 PHE PHE B H n B 2 55 THR 55 60 60 THR THR B I n B 2 56 GLU 56 61 61 GLU GLU B . n B 2 57 ASN 57 62 62 ASN ASN B . n B 2 58 ASP 58 63 63 ASP ASP B . n B 2 59 LEU 59 64 64 LEU LEU B . n B 2 60 LEU 60 65 65 LEU LEU B . n B 2 61 VAL 61 66 66 VAL VAL B . n B 2 62 ARG 62 67 67 ARG ARG B . n B 2 63 ILE 63 68 68 ILE ILE B . n B 2 64 GLY 64 69 69 GLY GLY B . n B 2 65 LYS 65 70 70 LYS LYS B . n B 2 66 HIS 66 71 71 HIS HIS B . n B 2 67 SER 67 72 72 SER SER B . n B 2 68 ARG 68 73 73 ARG ARG B . n B 2 69 THR 69 74 74 THR THR B . n B 2 70 ARG 70 75 75 ARG ARG B . n B 2 71 TYR 71 76 76 TYR TYR B . n B 2 72 GLU 72 77 77 GLU GLU B . n B 2 73 ARG 73 77 77 ARG ARG B A n B 2 74 ASN 74 78 78 ASN ASN B . n B 2 75 VAL 75 79 79 VAL VAL B . n B 2 76 GLU 76 80 80 GLU GLU B . n B 2 77 LYS 77 81 81 LYS LYS B . n B 2 78 ILE 78 82 82 ILE ILE B . n B 2 79 SER 79 83 83 SER SER B . n B 2 80 MET 80 84 84 MET MET B . n B 2 81 LEU 81 85 85 LEU LEU B . n B 2 82 GLU 82 86 86 GLU GLU B . n B 2 83 LYS 83 87 87 LYS LYS B . n B 2 84 ILE 84 88 88 ILE ILE B . n B 2 85 TYR 85 89 89 TYR TYR B . n B 2 86 VAL 86 90 90 VAL VAL B . n B 2 87 HIS 87 91 91 HIS HIS B . n B 2 88 PRO 88 92 92 PRO PRO B . n B 2 89 ARG 89 93 93 ARG ARG B . n B 2 90 TYR 90 94 94 TYR TYR B . n B 2 91 ASN 91 95 95 ASN ASN B . n B 2 92 TRP 92 96 96 TRP TRP B . n B 2 93 ARG 93 97 97 ARG ARG B . n B 2 94 GLU 94 97 97 GLU GLU B A n B 2 95 ASN 95 98 98 ASN ASN B . n B 2 96 LEU 96 99 99 LEU LEU B . n B 2 97 ASP 97 100 100 ASP ASP B . n B 2 98 ARG 98 101 101 ARG ARG B . n B 2 99 ASP 99 102 102 ASP ASP B . n B 2 100 ILE 100 103 103 ILE ILE B . n B 2 101 ALA 101 104 104 ALA ALA B . n B 2 102 LEU 102 105 105 LEU LEU B . n B 2 103 LEU 103 106 106 LEU LEU B . n B 2 104 LYS 104 107 107 LYS LYS B . n B 2 105 LEU 105 108 108 LEU LEU B . n B 2 106 LYS 106 109 109 LYS LYS B . n B 2 107 LYS 107 110 110 LYS LYS B . n B 2 108 PRO 108 111 111 PRO PRO B . n B 2 109 VAL 109 112 112 VAL VAL B . n B 2 110 PRO 110 113 113 PRO PRO B . n B 2 111 PHE 111 114 114 PHE PHE B . n B 2 112 SER 112 115 115 SER SER B . n B 2 113 ASP 113 116 116 ASP ASP B . n B 2 114 TYR 114 117 117 TYR TYR B . n B 2 115 ILE 115 118 118 ILE ILE B . n B 2 116 HIS 116 119 119 HIS HIS B . n B 2 117 PRO 117 120 120 PRO PRO B . n B 2 118 VAL 118 121 121 VAL VAL B . n B 2 119 CYS 119 122 122 CYS CYS B . n B 2 120 LEU 120 123 123 LEU LEU B . n B 2 121 PRO 121 124 124 PRO PRO B . n B 2 122 ASP 122 125 125 ASP ASP B . n B 2 123 LYS 123 126 126 LYS LYS B . n B 2 124 GLN 124 127 127 GLN GLN B . n B 2 125 THR 125 128 128 THR THR B . n B 2 126 VAL 126 129 129 VAL VAL B . n B 2 127 THR 127 129 129 THR THR B A n B 2 128 SER 128 129 129 SER SER B B n B 2 129 LEU 129 129 129 LEU LEU B C n B 2 130 LEU 130 130 130 LEU LEU B . n B 2 131 ARG 131 131 131 ARG ARG B . n B 2 132 ALA 132 132 132 ALA ALA B . n B 2 133 GLY 133 133 133 GLY GLY B . n B 2 134 TYR 134 134 134 TYR TYR B . n B 2 135 LYS 135 135 135 LYS LYS B . n B 2 136 GLY 136 136 136 GLY GLY B . n B 2 137 ARG 137 137 137 ARG ARG B . n B 2 138 VAL 138 138 138 VAL VAL B . n B 2 139 THR 139 139 139 THR THR B . n B 2 140 GLY 140 140 140 GLY GLY B . n B 2 141 TRP 141 141 141 TRP TRP B . n B 2 142 GLY 142 142 142 GLY GLY B . n B 2 143 ASN 143 143 143 ASN ASN B . n B 2 144 LEU 144 144 144 LEU LEU B . n B 2 145 ARG 145 145 145 ARG ARG B . n B 2 146 GLU 146 146 146 GLU GLU B . n B 2 147 THR 147 147 147 THR THR B . n B 2 148 TRP 148 148 148 TRP TRP B . n B 2 149 THR 149 149 149 THR THR B . n B 2 150 THR 150 149 149 THR THR B A n B 2 151 ASN 151 149 149 ASN ASN B B n B 2 152 ILE 152 149 149 ILE ILE B C n B 2 153 ASN 153 149 149 ASN ASN B D n B 2 154 GLU 154 149 149 GLU GLU B E n B 2 155 ILE 155 150 150 ILE ILE B . n B 2 156 GLN 156 151 151 GLN GLN B . n B 2 157 PRO 157 152 152 PRO PRO B . n B 2 158 SER 158 153 153 SER SER B . n B 2 159 VAL 159 154 154 VAL VAL B . n B 2 160 LEU 160 155 155 LEU LEU B . n B 2 161 GLN 161 156 156 GLN GLN B . n B 2 162 VAL 162 157 157 VAL VAL B . n B 2 163 VAL 163 158 158 VAL VAL B . n B 2 164 ASN 164 159 159 ASN ASN B . n B 2 165 LEU 165 160 160 LEU LEU B . n B 2 166 PRO 166 161 161 PRO PRO B . n B 2 167 ILE 167 162 162 ILE ILE B . n B 2 168 VAL 168 163 163 VAL VAL B . n B 2 169 GLU 169 164 164 GLU GLU B . n B 2 170 ARG 170 165 165 ARG ARG B . n B 2 171 PRO 171 166 166 PRO PRO B . n B 2 172 VAL 172 167 167 VAL VAL B . n B 2 173 CYS 173 168 168 CYS CYS B . n B 2 174 LYS 174 169 169 LYS LYS B . n B 2 175 ALA 175 170 170 ALA ALA B . n B 2 176 SER 176 171 171 SER SER B . n B 2 177 THR 177 172 172 THR THR B . n B 2 178 ARG 178 173 173 ARG ARG B . n B 2 179 ILE 179 174 174 ILE ILE B . n B 2 180 ARG 180 175 175 ARG ARG B . n B 2 181 ILE 181 176 176 ILE ILE B . n B 2 182 THR 182 177 177 THR THR B . n B 2 183 ASP 183 178 178 ASP ASP B . n B 2 184 ASN 184 179 179 ASN ASN B . n B 2 185 MET 185 180 180 MET MET B . n B 2 186 PHE 186 181 181 PHE PHE B . n B 2 187 CYS 187 182 182 CYS CYS B . n B 2 188 ALA 188 183 183 ALA ALA B . n B 2 189 GLY 189 184 184 GLY GLY B . n B 2 190 PHE 190 184 184 PHE PHE B A n B 2 191 LYS 191 185 185 LYS LYS B . n B 2 192 VAL 192 186 186 VAL VAL B . n B 2 193 ASN 193 186 186 ASN ASN B A n B 2 194 ASP 194 186 186 ASP ASP B B n B 2 195 THR 195 186 186 THR THR B C n B 2 196 LYS 196 186 186 LYS LYS B D n B 2 197 ARG 197 187 187 ARG ARG B . n B 2 198 GLY 198 188 188 GLY GLY B . n B 2 199 ASP 199 189 189 ASP ASP B . n B 2 200 ALA 200 190 190 ALA ALA B . n B 2 201 CYS 201 191 191 CYS CYS B . n B 2 202 GLU 202 192 192 GLU GLU B . n B 2 203 GLY 203 193 193 GLY GLY B . n B 2 204 ASP 204 194 194 ASP ASP B . n B 2 205 ALA 205 195 195 ALA ALA B . n B 2 206 GLY 206 196 196 GLY GLY B . n B 2 207 GLY 207 197 197 GLY GLY B . n B 2 208 PRO 208 198 198 PRO PRO B . n B 2 209 PHE 209 199 199 PHE PHE B . n B 2 210 VAL 210 200 200 VAL VAL B . n B 2 211 MET 211 201 201 MET MET B . n B 2 212 LYS 212 202 202 LYS LYS B . n B 2 213 SER 213 203 203 SER SER B . n B 2 214 PRO 214 204 204 PRO PRO B . n B 2 215 PHE 215 204 204 PHE PHE B A n B 2 216 ASN 216 204 204 ASN ASN B B n B 2 217 ASN 217 205 205 ASN ASN B . n B 2 218 ARG 218 206 206 ARG ARG B . n B 2 219 TRP 219 207 207 TRP TRP B . n B 2 220 TYR 220 208 208 TYR TYR B . n B 2 221 GLN 221 209 209 GLN GLN B . n B 2 222 MET 222 210 210 MET MET B . n B 2 223 GLY 223 211 211 GLY GLY B . n B 2 224 ILE 224 212 212 ILE ILE B . n B 2 225 VAL 225 213 213 VAL VAL B . n B 2 226 SER 226 214 214 SER SER B . n B 2 227 TRP 227 215 215 TRP TRP B . n B 2 228 GLY 228 216 216 GLY GLY B . n B 2 229 GLU 229 217 217 GLU GLU B . n B 2 230 GLY 230 219 219 GLY GLY B . n B 2 231 CYS 231 220 220 CYS CYS B . n B 2 232 ASP 232 221 221 ASP ASP B . n B 2 233 ARG 233 221 221 ARG ARG B A n B 2 234 LYS 234 222 222 LYS LYS B . n B 2 235 GLY 235 223 223 GLY GLY B . n B 2 236 LYS 236 224 224 LYS LYS B . n B 2 237 TYR 237 225 225 TYR TYR B . n B 2 238 GLY 238 226 226 GLY GLY B . n B 2 239 PHE 239 227 227 PHE PHE B . n B 2 240 TYR 240 228 228 TYR TYR B . n B 2 241 THR 241 229 229 THR THR B . n B 2 242 HIS 242 230 230 HIS HIS B . n B 2 243 VAL 243 231 231 VAL VAL B . n B 2 244 PHE 244 232 232 PHE PHE B . n B 2 245 ARG 245 233 233 ARG ARG B . n B 2 246 LEU 246 234 234 LEU LEU B . n B 2 247 LYS 247 235 235 LYS LYS B . n B 2 248 ARG 248 236 236 ARG ARG B . n B 2 249 TRP 249 237 237 TRP TRP B . n B 2 250 ILE 250 238 238 ILE ILE B . n B 2 251 GLN 251 239 239 GLN GLN B . n B 2 252 LYS 252 240 240 LYS LYS B . n B 2 253 VAL 253 241 241 VAL VAL B . n B 2 254 ILE 254 242 242 ILE ILE B . n B 2 255 ASP 255 243 243 ASP ASP B . n B 2 256 GLN 256 244 244 GLN GLN B . n B 2 257 PHE 257 245 245 PHE PHE B . n B 2 258 GLY 258 246 246 GLY GLY B . n C 3 1 LYS 1 51 51 LYS LYS C . n C 3 2 SER 2 52 52 SER SER C . n C 3 3 SER 3 53 53 SER SER C . n C 3 4 ASP 4 54 54 ASP ASP C . n C 3 5 LYS 5 55 55 LYS LYS C . n C 3 6 PRO 6 56 56 PRO PRO C . n C 3 7 ASN 7 57 57 ASN ASN C . n C 3 8 PRO 8 58 58 PRO PRO C . n C 3 9 ARG 9 59 59 ARG ARG C . n C 3 10 GLY 10 60 60 GLY GLY C . n C 3 11 TYR 11 61 61 TYR TYR C . n C 3 12 PRO 12 62 62 PRO PRO C . n C 3 13 GLY 13 63 63 GLY GLY C . n C 3 14 LYS 14 64 64 LYS LYS C . n C 3 15 PHE 15 65 65 PHE PHE C . n C 3 16 CYS 16 66 66 CYS CYS C . n C 3 17 ALA 17 67 67 ALA ALA C . n C 3 18 ASN 18 68 68 ASN ASN C . n C 3 19 ASP 19 69 69 ASP ASP C . n C 3 20 SER 20 70 70 SER SER C . n C 3 21 ASP 21 71 71 ASP ASP C . n C 3 22 THR 22 72 72 THR THR C . n C 3 23 LEU 23 73 73 LEU LEU C . n C 3 24 GLU 24 74 74 GLU GLU C . n C 3 25 LEU 25 75 75 LEU LEU C . n C 3 26 PRO 26 76 76 PRO PRO C . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 NAG 1 301 301 NAG NAG B . E 4 NAG 1 302 302 NAG NAG B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 B ASN 53 B ASN 60 G ASN 'GLYCOSYLATION SITE' 2 B ASN 193 B ASN 186 A ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA trimeric 3 2 software_defined_assembly PISA trimeric 3 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,B,C,D,E 2 2 C 2 1 A,B,D,E # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 5790 ? 1 MORE -22 ? 1 'SSA (A^2)' 15210 ? 2 'ABSA (A^2)' 3860 ? 2 MORE -12 ? 2 'SSA (A^2)' 17140 ? # loop_ _pdbx_struct_oper_list.id _pdbx_struct_oper_list.type _pdbx_struct_oper_list.name _pdbx_struct_oper_list.symmetry_operation _pdbx_struct_oper_list.matrix[1][1] _pdbx_struct_oper_list.matrix[1][2] _pdbx_struct_oper_list.matrix[1][3] _pdbx_struct_oper_list.vector[1] _pdbx_struct_oper_list.matrix[2][1] _pdbx_struct_oper_list.matrix[2][2] _pdbx_struct_oper_list.matrix[2][3] _pdbx_struct_oper_list.vector[2] _pdbx_struct_oper_list.matrix[3][1] _pdbx_struct_oper_list.matrix[3][2] _pdbx_struct_oper_list.matrix[3][3] _pdbx_struct_oper_list.vector[3] 1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 2 'crystal symmetry operation' 5_555 y,-x+y,z+1/6 0.5000000000 0.8660254038 0.0000000000 0.0000000000 -0.8660254038 0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 29.9511666667 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2007-07-10 2 'Structure model' 1 1 2008-05-01 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal CNS refinement 1.1 ? 1 StructureStudio 'data collection' . ? 2 HKL-2000 'data reduction' . ? 3 SCALEPACK 'data scaling' . ? 4 MOLREP phasing 'from ccp4' ? 5 # _pdbx_validate_close_contact.id 1 _pdbx_validate_close_contact.PDB_model_num 1 _pdbx_validate_close_contact.auth_atom_id_1 O _pdbx_validate_close_contact.auth_asym_id_1 B _pdbx_validate_close_contact.auth_comp_id_1 LYS _pdbx_validate_close_contact.auth_seq_id_1 185 _pdbx_validate_close_contact.PDB_ins_code_1 ? _pdbx_validate_close_contact.label_alt_id_1 ? _pdbx_validate_close_contact.auth_atom_id_2 N _pdbx_validate_close_contact.auth_asym_id_2 B _pdbx_validate_close_contact.auth_comp_id_2 ASN _pdbx_validate_close_contact.auth_seq_id_2 186 _pdbx_validate_close_contact.PDB_ins_code_2 A _pdbx_validate_close_contact.label_alt_id_2 ? _pdbx_validate_close_contact.dist 2.07 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 B _pdbx_validate_rmsd_bond.auth_comp_id_1 ASN _pdbx_validate_rmsd_bond.auth_seq_id_1 186 _pdbx_validate_rmsd_bond.PDB_ins_code_1 A _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 CG _pdbx_validate_rmsd_bond.auth_asym_id_2 B _pdbx_validate_rmsd_bond.auth_comp_id_2 ASN _pdbx_validate_rmsd_bond.auth_seq_id_2 186 _pdbx_validate_rmsd_bond.PDB_ins_code_2 A _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.655 _pdbx_validate_rmsd_bond.bond_target_value 1.506 _pdbx_validate_rmsd_bond.bond_deviation 0.149 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.023 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB B ASN 186 A ? CG B ASN 186 A ? ND2 B ASN 186 A ? 96.84 116.70 -19.86 2.40 N 2 1 N C SER 53 ? ? CA C SER 53 ? ? C C SER 53 ? ? 129.63 111.00 18.63 2.70 N 3 1 C C TYR 61 ? ? N C PRO 62 ? ? CA C PRO 62 ? ? 130.13 119.30 10.83 1.50 Y # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 GLU A 1 J ? -38.54 -24.02 2 1 GLU A 1 C ? -24.92 -58.59 3 1 ASP A 1 A ? -145.60 17.42 4 1 PHE A 7 ? ? -144.83 -80.76 5 1 TYR A 14 J ? -101.99 77.35 6 1 TYR B 60 A ? -156.59 78.47 7 1 HIS B 71 ? ? -139.88 -44.46 8 1 THR B 74 ? ? -138.84 -57.18 9 1 GLU B 77 ? ? -69.28 66.21 10 1 VAL B 79 ? ? -136.32 -63.81 11 1 ARG B 93 ? ? -70.03 26.04 12 1 GLU B 97 A ? -95.82 -75.45 13 1 SER B 115 ? ? -175.78 -165.61 14 1 PRO B 124 ? ? -57.17 170.72 15 1 THR B 149 ? ? -83.94 41.50 16 1 THR B 149 A ? 21.34 -49.08 17 1 ASN B 149 B ? -67.63 0.39 18 1 LEU B 155 ? ? -39.93 125.11 19 1 VAL B 186 ? ? -13.13 -38.69 20 1 ASP B 186 B ? -178.47 -78.71 21 1 THR B 186 C ? 4.93 -84.66 22 1 CYS B 191 ? ? -124.17 -166.55 23 1 VAL B 213 ? ? -52.89 104.91 24 1 SER B 214 ? ? -104.79 -76.61 25 1 SER C 52 ? ? 163.86 61.22 26 1 SER C 53 ? ? -176.48 -132.81 27 1 ASP C 54 ? ? 51.70 100.09 28 1 TYR C 61 ? ? -45.92 152.68 29 1 PRO C 62 ? ? -45.54 18.39 30 1 PHE C 65 ? ? 104.27 42.75 31 1 ALA C 67 ? ? -110.94 75.33 32 1 ASN C 68 ? ? -114.42 -166.19 33 1 SER C 70 ? ? -176.44 -149.99 34 1 THR C 72 ? ? -68.49 57.09 35 1 LEU C 73 ? ? 44.55 117.02 36 1 GLU C 74 ? ? 158.64 79.88 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A HIS 1 O CG ? A HIS 2 CG 2 1 Y 1 A HIS 1 O ND1 ? A HIS 2 ND1 3 1 Y 1 A HIS 1 O CD2 ? A HIS 2 CD2 4 1 Y 1 A HIS 1 O CE1 ? A HIS 2 CE1 5 1 Y 1 A HIS 1 O NE2 ? A HIS 2 NE2 # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id A _pdbx_unobs_or_zero_occ_residues.auth_comp_id ARG _pdbx_unobs_or_zero_occ_residues.auth_seq_id 15 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id A _pdbx_unobs_or_zero_occ_residues.label_comp_id ARG _pdbx_unobs_or_zero_occ_residues.label_seq_id 44 # _pdbx_entity_nonpoly.entity_id 4 _pdbx_entity_nonpoly.name N-ACETYL-D-GLUCOSAMINE _pdbx_entity_nonpoly.comp_id NAG #